A1ATZ

(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid

Created:	2024-05-31
Last modified:	2025-04-02

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1 entries where A1ATZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	24

2D diagram of A1ATZ

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Chemical Component Summary
Name	(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[2-[(2-chloranyl-5-phenyl-phenyl)methoxy]phenyl]-2-[(2-oxidanylidene-3~{H}-1,3-benzoxazol-5-yl)amino]ethanoic acid
Formula	C₂₈ H₂₁ Cl N₂ O₅
Molecular Weight	500.93
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1
SMILES	CACTVS	3.385	OC(=O)[CH](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(c(c2)COc3ccccc3C(C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(c(c2)COc3ccccc3[C@@H](C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl
InChI	InChI	1.06	InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m0/s1
InChIKey	InChI	1.06	KWPWSDGGBZEWFY-SANMLTNESA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.