258331-10-1|tert-Butyl 2-(2-hydroxyphenyl)acetate| Ambeed

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Quality Control of [ 258331-10-1 ] Purity: 95% SDS Specification

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Product Details of [ 258331-10-1 ]

CAS No. :	258331-10-1
Formula :	C₁₂H₁₆O₃
M.W :	208.25
SMILES Code :	O=C(OC(C)(C)C)CC1=CC=CC=C1O
MDL No. :	MFCD25019077
InChI Key :	WQKQVLJLRPWESF-UHFFFAOYSA-N
Pubchem ID :	15525521

Safety of [ 258331-10-1 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P280-P305+P351+P338

Computational Chemistry of [ 258331-10-1 ] Show Less

Physicochemical Properties

Num. heavy atoms	15
Num. arom. heavy atoms	6
Fraction Csp3	0.42
Num. rotatable bonds	4
Num. H-bond acceptors	3.0
Num. H-bond donors	1.0
Molar Refractivity	58.79
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	46.53 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	2.26
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	2.16
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	2.28
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	2.25
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	2.33
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	2.26

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.52
Solubility	0.623 mg/ml ; 0.00299 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-2.77
Solubility	0.354 mg/ml ; 0.0017 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-3.13
Solubility	0.153 mg/ml ; 0.000736 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.04 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.92

Application In Synthesis of [ 258331-10-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 258331-10-1 ]

[ 258331-10-1 ] Synthesis Path-Downstream 1~35

1
[ 258331-10-1 ]
[ 126997-07-7 ]
[2-(3,3-Diethyl-4-oxo-azetidin-2-yloxy)-phenyl]-acetic acid tert-butyl ester [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 771 - 777.

2
[ 75-65-0 ]
[ 614-75-5 ]
[ 258331-10-1 ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 771 - 777.

3
[ 258331-10-1 ]
[ 108-24-7 ]
(2-acetoxy-phenyl)-acetic acid-anhydride [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1968,vol. 11,p. 611 - 612.

4
[ 115-11-7 ]
[ 614-75-5 ]
[ 258331-10-1 ]

References: [1]Journal of Organic Chemistry,2000,vol. 65,p. 214 - 219.
[2]Journal of Medicinal Chemistry,1968,vol. 11,p. 611 - 612.

5
[ 4422-95-1 ]
[ 258331-10-1 ]
benzene-1,3,5-tricarboxylic acid tris-(2-<i>tert</i>-butoxycarbonylmethyl-phenyl) ester [ No CAS ]

References: [1]Journal of Organic Chemistry,2000,vol. 65,p. 214 - 219.

7
[ 24424-99-5 ]
[ 70340-04-4 ]
[ 258331-10-1 ]

Yield	Reaction Conditions	Operation in experiment
30%	With triethylamine; In dichloromethane; at 20℃; for 16h;	Example 81 {2-[((2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}pyrrolidin-2- yl) methoxy]phenyl}acetic acid Example 81A (2-Hydroxy-phenyl) -acetic acid ter-butyl ester Di-tert-butyl dicarbonate (218 mg, 0.1 mmol) was added to a solution of (2- hydroxybenzyl) triphenylphosphonium bromide (300 mg, 0.67 mmol) and triethylamine (0.32 mL, 0.3 mmol) in dry dichloromethane at room temperature under argon atmosphere. The mixture was stirred for 16 h and then poured into aqueous pH 7 buffer solution. Extraction with ethyl acetate followed by chromatography on silica gel (hexane/ethyl acetate = 4/1) gave desired product (66 mg, 30%). MS (DCI) m/z 330 (M+H) +.
30%	With triethylamine; In dichloromethane; at 20℃; for 16h;	EXAMPLE 81A (2-Hydroxy-phenyl)-acetic acid tert-butyl ester Di-tert-butyl dicarbonate (218 mg, 0.1 mmol) was added to a solution of (2-hydroxybenzyl)triphenylphosphonium bromide (300 mg, 0.67 mmol) and triethylamine (0.32 mL, 0.3 mmol) in dry dichloromethane at room temperature under argon atmosphere. The mixture was stirred for 16 h and then poured into aqueous pH 7 buffer solution. Extraction with ethyl acetate followed by chromatography on silica gel (hexane/ethyl acetate=4/1) gave desired product (66 mg, 30%). MS (DCI) m/z 330 (M+H)+.
	With triethylamine; In dichloromethane; at 20 - 40℃; for 96h;Inert atmosphere;	To a suspension of (2-hydroxybenzyl)triphenylphosphonium bromide (CAS 70340-04- 4) (50 g, 1 1 1 mmol) in DCM (500 mL) was added Et3N (46.3 ml_, 334 mmol) at room temperature. c//-ferf-Butyl dicarbonate (40.9 mL, 178 mmol) was added and the reaction was stirred at 40 C for 4 days. The reaction was cooled to room temperature and diluted with DCM and water and the DCM layer was removed, dried and concentrated and absorbed onto silica to purify via FCC (EtOAc-heptane 0-20%) to obtain the title compound. 1H NMR (400 MHz, DMSO-d6) delta ppm 9.39 (s, 1 H) 6.98 - 7.1 1 (m, 2 H) 6.66 - 6.83 (m, 2 H) 3.43 (s, 2 H) 1.39 (s, 9 H).

With triethylamine; In dichloromethane; at 40℃; for 96h;

Intermediate 2. tert-Butyl 2-(2-hydroxyphenyl)acetate To a suspension of (2-hydroxybenzyl)triphenylphosphonium bromide (CAS 70340-04- 4) (50 g, 1 1 1 mmol) in DCM (500 mL) was added Et3N (46.3 mL, 334 mmol) at room temperature. cf/'-fe/ -Butyl dicarbonate (40.9 mL, 178 mmol) was added and the reaction mixture was stirred at 40 C for 4 days. The reaction mixture was cooled to room temperature and partitioned between DCM and water. The aqueous layer was extracted with DCM. The combined organics were dried and concentrated. The residue was absorbed onto silica gel and purified by silica gel chromatography (0-20% EtOAc/heptane) to provide the title compound. 1H NMR (400 MHz, DMSO-c/6) delta ppm 9.39 (s, 1 H) 6.98 - 7.1 1 (m, 2 H) 6.66 - 6.83 (m, 2 H) 3.43 (s, 2 H) 1 .39 (s, 9 H).

References: [1]Journal of Organic Chemistry,2000,vol. 65,p. 7660 - 7662.
[2]Patent: WO2005/23762,2005,A1 .Location in patent: Page/Page column 110.
[3]Patent: US2005/131019,2005,A1 .Location in patent: Page/Page column 49.
[4]Patent: WO2015/9977,2015,A1 .Location in patent: Page/Page column 114.
[5]Patent: WO2016/88082,2016,A1 .Location in patent: Page/Page column 48-49.

8
[ 95-56-7 ]
[ 51656-70-3 ]
[ 258331-10-1 ]

References: [1]Journal of the American Chemical Society,2003,vol. 125,p. 11176 - 11177.

9
[ 258331-10-1 ]
[ 258330-89-1 ]

References: [1]Journal of Organic Chemistry,2000,vol. 65,p. 214 - 219.

10
[ 258331-10-1 ]
[2-(1-Benzylcarbamoyl-3,3-diethyl-4-oxo-azetidin-2-yloxy)-phenyl]-acetic acid [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 771 - 777.

11
[ 258331-10-1 ]
[2-(1-Benzylcarbamoyl-3,3-diethyl-4-oxo-azetidin-2-yloxy)-phenyl]-acetic acid tert-butyl ester [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 771 - 777.

12
[ 95-56-7 ]
tert-butoxycarbonylmethylzinc bromide tetrahydrofuran salt [ No CAS ]
[ 258331-10-1 ]

References: [1]Journal of Organic Chemistry,2013,vol. 78,p. 8250 - 8266.

13
[ 258331-10-1 ]
[ 56908-88-4 ]
tert-butyl 2-(2-((3,5-dibromobenzyl)oxy)phenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;Inert atmosphere;	Terf-butyl 2-(2-hydroxyphenyl)acetate (Intermediate 21 ) (0.84 g, 4.0 mmol) was dissolved in DMF (20.2 mL) and K2C03 (0.641 g, 4.64 mmol) was added followed by 1 ,3- dibromo-5-(bromomethyl)benzene (CAS 56908-88-4) (1 .46 g, 4.44 mmol). After stirring overnight at room temperature the reaction was diluted with ethyl acetate and water. The organic phase was washed with water, dried with MgS04, filtered and concentrated. The reaction was purified by flash chromatography (0-30% EtOAc: Heptanes) to provide the title compound. 1 H NMR (400 MHz, DMSO-c/6) delta ppm 7.79 (t, J=1 .77 Hz, 1 H) 7.66 (d, J=1 .77 Hz, 2 H) 7.16 - 7.29 (m, 2 H) 6.98 (d, J=7.58 Hz, 1 H) 6.92 (td, J=7.42, 0.95 Hz, 1 H) 5.13 (s, 2 H) 3.55 (s, 2 H) 1 .34 (s, 9 H).

References: [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 4656 - 4668.
[2]Patent: WO2015/9977,2015,A1 .Location in patent: Page/Page column 132.

14
[ 51760-22-6 ]
[ 258331-10-1 ]
tert-butyl 2-(2-((3-bromo-5-(hydroxymethyl)benzyl)oxy)phenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃;Inert atmosphere; Cooling with ice;	A solution of (5-bromo-1 ,3-phenylene)dimethanol (CAS 51760-22-6) (32.5 g, 150 mmol) and ferf-butyl 2-(2-hydroxyphenyl)acetate (Intermediate 21 ) (15.6 g, 74.9 mmol) and PPh3 (39.3 g, 150 mmol) in THF (250 mL) was cooled to 0 C in an ice/water bath. DIAD (29.1 mL, 150 mmol) was added dropwise and the resulting yellow solution was allowed to warm to room temperature. After overnight the reaction was quenched with water, extracted with EtOAc, dried with MgS04, filtered and concentrated. The crude product was purified by flash chromatography (0-60% EtOAc: Heptanes) to provide the title compound. 1H NMR (600 MHz, DMSO-c/6) delta ppm 7.50 (s, 1 H) 7.46 (s, 1 H) 7.36 (s, 1 H) 7.16 - 7.27 (m, 2 H) 7.01 (d, J=8.07 Hz, 1 H) 6.91 (td, J=7.40, 0.87 Hz, 1 H) 5.34 (t, J=5.73 Hz, 1 H) 5.1 1 (s, 2 H) 4.50 (d, J=5.69 Hz, 2 H) 3.55 (s, 2 H) 1.34 (s, 9 H).
	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃;	Intermediate 13-A. ferf-Butyl 2-(2-((3-bromo-5-(hydroxymethyl)benzyl)oxy)phenyl)acetate A solution of (5-bromo-1 ,3-phenylene)dimethanol (CAS 51760-22-6) (32.5 g, 150 mmol) and fe/f-butyl 2-(2-hydroxyphenyl)acetate (Intermediate 2) (15.6 g, 74.9 mmol) and PPh3 (39.3 g, 150 mmol) in THF (250 mL) was cooled to 0 C in an ice/water bath. DIAD (29.1 ml_, 150 mmol) was added dropwise and the resulting yellow solution was allowed to warm to room temperature and stirred overnight. Excess base was quenched with water, the resulting mixture was extracted with EtOAc, dried with MgS04, filtered and concentrated. The residue was purified by silica gel chromatography (0-60% EtOAc/heptane) to provide the title compound. 1H NMR (600 MHz, DMSO-c/6) delta ppm 7.50 (s, 1 H) 7.46 (s, 1 H) 7.36 (s, 1 H) 7.16 - 7.27 (m, 2 H) 7.01 (d, J=8.07 Hz, 1 H) 6.91 (td, J=7.40, 0.87 Hz, 1 H) 5.34 (t, J=5.73 Hz, 1 H) 5.1 1 (s, 2 H) 4.50 (d, J=5.69 Hz, 2 H) 3.55 (s, 2 H) 1 .34 (s, 9 H).

References: [1]Patent: WO2015/9977,2015,A1 .Location in patent: Page/Page column 135; 136.
[2]Patent: WO2016/88082,2016,A1 .Location in patent: Page/Page column 54.
[3]Journal of Medicinal Chemistry,2019,vol. 62,p. 4656 - 4668.

15
[ 172023-97-1 ]
[ 258331-10-1 ]
tert-butyl 2-(2-((3-bromo-5-(trifluoromethyl)benzyl)oxy)phenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃;Inert atmosphere; Cooling with ice;	A solution of (3-bromo-5-(trifluoromethyl)phenyl)methanol (CAS 172023-97-1 ) (0.525 g, 2.06 mmol) and ferf-butyl 2-(2-hydroxyphenyl)acetate (Intermediate 21 ) (0.557 g, 2.67 mmol) and PPh3 (0.702 g, 2.67 mmol) in THF (20.6 mL) was cooled to 0 C in an ice/water bath under nitrogen. DIAD (0.520 mL, 2.67 mmol) was added dropwise. The reaction was allowed to warm to room temperature and then stirred overnight. The reaction was quenched with water, extracted with EtOAc, washed with brine, dried with MgS04, filtered and concentrated. This was purified by flash chromatography (0-40% EtOAc: Heptanes) to provide the title compound. 1H NMR (400 MHz, DMSO-c/6) delta ppm 7.97 (s, 1 H) 7.93 (s, 1 H) 7.84 (s, 1 H) 7.16 - 7.31 (m, 2 H) 7.01 (d, J=7.58 Hz, 1 H) 6.88 - 6.97 (m, 1 H) 5.23 (s, 2 H) 3.56 (s, 2 H) 1.31 (s, 9 H).

References: [1]Patent: WO2015/9977,2015,A1 .Location in patent: Page/Page column 132; 133.

16
[ 258331-10-1 ]
(R)-tert-butyl 2-(2-((3'-(1-((tert-butoxycarbonyl)amino)butyl)-5-(hydroxymethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetate [ No CAS ]

References: [1]Patent: WO2015/9977,2015,A1 .

17
[ 258331-10-1 ]
tert-butyl 2-(2-((3-bromo-5-(methoxymethyl)benzyl)oxy)phenyl)acetate [ No CAS ]

References: [1]Patent: WO2015/9977,2015,A1 .
[2]Patent: WO2016/88082,2016,A1 .

18
2-(5-fluoro-3'-(hydroxymethyl)[1,1'-biphenyl]-3-yl)acetamide [ No CAS ]
[ 258331-10-1 ]
tert-butyl 2-(2-((3'-(2-amino-2-oxoethyl)-5'-fluoro[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 16h;Inert atmosphere;	Example 16. 2-(2-((3'-(2-amino-2-oxoethyl)-5'-fluoro-[1 ,1 '-biphenyl]-3- yl)methoxy)phenyl)acetic acid To a solution of 2-(5-fluoro-3'-(hydroxymethyl)-[1 ,1 '-biphenyl]-3-yl)acetamide (Intermediate 42-C) (50 mg, 0.193 mmol), fe/f-butyl 2-(2-hydroxyphenyl) acetate (Intermediate 2) (48.2 mg, 0.231 mmol) and PPh3 (101 mg, 0.386 mmol) in THF (4 ml) at 0 C in an ice/water bath under nitrogen was added DIAD (0.075 ml, 0.386 mmol) dropwise. The reaction was stirred at room temperature for 16 hours. The mixture was dilutied in EtOAc and washed with water. The water layer was extracted with EtOAc twice. The organic layers were combined and concentrated to provide crude fe/f-butyl 2-(2-((3'-(2-amino-2-oxoethyl)-5'-fluoro-[1 ,1 '-biphenyl]-3- yl)methoxy)phenyl)acetate. This was dissolved in DCM (1 mL) and TFA (1 mL) was added. The resulting mixture was stirred at room temperature for 30 min, then concentrated. The residue was purified by HPLC (Method A) to provide the title product. 1H NMR (400 MHz, Methanol-d4) delta 7.77 (qd, J = 1 .5, 0.9 Hz, 1 H), 7.57 (tdd, J = 4.9, 2.9, 1 .5 Hz, 1 H), 7.48 - 7.44 (m, 3H), 7.30 (ddd, J = 10.1 , 2.5, 1 .6 Hz, 1 H), 7.27 - 7.20 (m, 2H), 7.07 - 7.02 (m, 2H), 6.92 (td, J = 7.4, 1 .1 Hz, 1 H), 5.19 (s, 2H), 3.68 (s, 2H), 3.60 (s, 2H). HRMS calcd. for C23H20FNO4 (M+H) 394.1455, found 394.1455.

References: [1]Patent: WO2016/88082,2016,A1 .Location in patent: Page/Page column 87-88.

19
2-(5-fluoro-3'-(hydroxymethyl)[1,1'-biphenyl]-3-yl)acetamide [ No CAS ]
[ 258331-10-1 ]
2-(2-((3'-(2-amino-2-oxoethyl)-5'-fluoro[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid [ No CAS ]