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Summary Geometry Related PDB entries

A1ARY

Summary

Name:	(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
Formula:	C19 H14 Cl2 N2 O2 S
Formal charge:	0
Formula weight:	405.298 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
OpenEye OEToolkits	2.0.7	(2~{R})-~{N}-(5-chloranylpyridin-3-yl)-~{N}-[3-(3-chlorophenyl)phenyl]-2-oxidanyl-2-sulfanyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(cnc1)N(C(=O)C(O)S)c1cc(ccc1)c1cccc(Cl)c1
InChI	InChI	1.06	InChI=1S/C19H14Cl2N2O2S/c20-14-5-1-3-12(7-14)13-4-2-6-16(8-13)23(18(24)19(25)26)17-9-15(21)10-22-11-17/h1-11,19,25-26H/t19-/m1/s1
InChIKey	InChI	1.06	IXEUTDXECAJRRN-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@H](S)C(=O)N(c1cccc(c1)c2cccc(Cl)c2)c3cncc(Cl)c3
SMILES	CACTVS	3.385	O[CH](S)C(=O)N(c1cccc(c1)c2cccc(Cl)c2)c3cncc(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)N(c2cc(cnc2)Cl)C(=O)[C@H](O)S)c3cccc(c3)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)N(c2cc(cnc2)Cl)C(=O)C(O)S)c3cccc(c3)Cl

249697

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