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SummaryGeometryRelated PDB entries

6EC

Summary
Name:5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
Formula:C20 H16 N2 O4
Formal charge:0
Formula weight:348.352 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
OpenEye OEToolkits2.0.42-oxidanyl-5-[(3-phenylphenyl)carbamoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc3)=O
InChIInChI1.03InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)
InChIKeyInChI1.03BRISALGJKGCDGB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(NC(=O)Nc2cccc(c2)c3ccccc3)ccc1O
SMILESCACTVS3.385OC(=O)c1cc(NC(=O)Nc2cccc(c2)c3ccccc3)ccc1O
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O

224931

PDB entries from 2024-09-11

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