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SummaryGeometryRelated PDB entries

68W

Summary
Name:3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
Formula:C20 H16 N2 O3
Formal charge:0
Formula weight:332.353 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
OpenEye OEToolkits2.0.43-[(3-phenylphenyl)carbamoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(ccc1)NC(Nc2cc(ccc2)c3ccccc3)=O
InChIInChI1.03InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)
InChIKeyInChI1.03FMMGJYWGPFRVFI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(NC(=O)Nc2cccc(c2)c3ccccc3)c1
SMILESCACTVS3.385OC(=O)c1cccc(NC(=O)Nc2cccc(c2)c3ccccc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O

219140

PDB entries from 2024-05-01

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