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XGC

Summary
Name:N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide
Formula:C15 H17 N3 O4 S2
Formal charge:0
Formula weight:367.443 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide
OpenEye OEToolkits2.0.7(2~{R})-2-azanyl-~{N}-[3-(6-methoxypyridin-3-yl)phenyl]sulfonyl-3-sulfanyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccc(cn1)c1cccc(c1)S(=O)(=O)NC(=O)C(N)CS
InChIInChI1.06InChI=1S/C15H17N3O4S2/c1-22-14-6-5-11(8-17-14)10-3-2-4-12(7-10)24(20,21)18-15(19)13(16)9-23/h2-8,13,23H,9,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyInChI1.06LQDUHWTWGXAMOC-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cn1)c2cccc(c2)[S](=O)(=O)NC(=O)[C@@H](N)CS
SMILESCACTVS3.385COc1ccc(cn1)c2cccc(c2)[S](=O)(=O)NC(=O)[CH](N)CS
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cn1)c2cccc(c2)S(=O)(=O)NC(=O)[C@H](CS)N
SMILESOpenEye OEToolkits2.0.7COc1ccc(cn1)c2cccc(c2)S(=O)(=O)NC(=O)C(CS)N

222415

PDB entries from 2024-07-10

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