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RVF

Summary
Name:3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
Formula:C18 H14 N4 O4
Formal charge:0
Formula weight:350.328 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.73-[[(2-oxidanyl-1~{H}-benzimidazol-5-yl)carbonylamino]methyl]-1~{H}-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1
InChIInChI1.06InChI=1S/C18H14N4O4/c23-16(9-5-6-13-14(7-9)22-18(26)21-13)19-8-11-10-3-1-2-4-12(10)20-15(11)17(24)25/h1-7,20H,8H2,(H,19,23)(H,24,25)(H2,21,22,26)
InChIKeyInChI1.06XGVGMKBKRWQGTN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]c(O)nc4c3
SMILESCACTVS3.385OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]c(O)nc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc([nH]4)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc([nH]4)O

220113

PDB entries from 2024-05-22

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