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Summary Geometry Related PDB entries

A1ATZ

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
Formula:	C28 H21 Cl N2 O5
Formal charge:	0
Formula weight:	500.93 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
OpenEye OEToolkits	2.0.7	(2~{S})-2-[2-[(2-chloranyl-5-phenyl-phenyl)methoxy]phenyl]-2-[(2-oxidanylidene-3~{H}-1,3-benzoxazol-5-yl)amino]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1
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
SMILES_CANONICAL	CACTVS	3.385	OC(=O)[C@@H](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5
SMILES	CACTVS	3.385	OC(=O)[CH](Nc1ccc2OC(=O)Nc2c1)c3ccccc3OCc4cc(ccc4Cl)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(c(c2)COc3ccccc3[C@@H](C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(c(c2)COc3ccccc3C(C(=O)O)Nc4ccc5c(c4)NC(=O)O5)Cl

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PDB entries from 2026-02-11

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