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Summary Geometry Related PDB entries

A1L9P

Summary

Name:	3-[[4-[4-[[(1~{R})-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid
Synonyms:	(R)-KI16425
Formula:	C23 H23 Cl N2 O5 S
Formal charge:	0
Formula weight:	474.957 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[[4-[4-[[(1~{R})-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)/t15-/m1/s1
InChIKey	InChI	1.06	LLIFMNUXGDHTRO-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](OC(=O)Nc1c(C)noc1c2ccc(CSCCC(O)=O)cc2)c3ccccc3Cl
SMILES	CACTVS	3.385	C[CH](OC(=O)Nc1c(C)noc1c2ccc(CSCCC(O)=O)cc2)c3ccccc3Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(on1)c2ccc(cc2)CSCCC(=O)O)NC(=O)O[C@H](C)c3ccccc3Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(on1)c2ccc(cc2)CSCCC(=O)O)NC(=O)OC(C)c3ccccc3Cl

253795

PDB entries from 2026-05-20

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