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RV3

Summary
Name:3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
Formula:C18 H14 N4 O3
Formal charge:0
Formula weight:334.329 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1ccc2[NH]cnc2c1
InChIInChI1.06InChI=1S/C18H14N4O3/c23-17(10-5-6-14-15(7-10)21-9-20-14)19-8-12-11-3-1-2-4-13(11)22-16(12)18(24)25/h1-7,9,22H,8H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyInChI1.06ZBKHDPZXZUDEDP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]cnc4c3
SMILESCACTVS3.385OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]cnc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc[nH]4
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc[nH]4

223532

数据于2024-08-07公开中

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