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A1C1P

Summary
Name:4-[(2-amino-2-oxoethyl)(benzyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
Formula:C14 H15 N3 O5 S
Formal charge:0
Formula weight:337.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-[(2-amino-2-oxoethyl)(benzyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
OpenEye OEToolkits3.1.0.04-[(2-azanyl-2-oxidanylidene-ethyl)-(phenylmethyl)sulfamoyl]-1~{H}-pyrrole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)c1cc(c[NH]1)S(=O)(=O)N(Cc1ccccc1)CC(N)=O
InChIInChI1.06InChI=1S/C14H15N3O5S/c15-13(18)9-17(8-10-4-2-1-3-5-10)23(21,22)11-6-12(14(19)20)16-7-11/h1-7,16H,8-9H2,(H2,15,18)(H,19,20)
InChIKeyInChI1.06PHEMXNOPMWQEAM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)CN(Cc1ccccc1)[S](=O)(=O)c2c[nH]c(c2)C(O)=O
SMILESCACTVS3.385NC(=O)CN(Cc1ccccc1)[S](=O)(=O)c2c[nH]c(c2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)CN(CC(=O)N)S(=O)(=O)c2cc([nH]c2)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)CN(CC(=O)N)S(=O)(=O)c2cc([nH]c2)C(=O)O

258735

PDB entries from 2026-08-26

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