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A1CAP

Summary
Name:2-({N-[2-(trifluoromethoxy)phenyl]glycyl}amino)benzoic acid
Formula:C16 H13 F3 N2 O4
Formal charge:0
Formula weight:354.281 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-({N-[2-(trifluoromethoxy)phenyl]glycyl}amino)benzoic acid
OpenEye OEToolkits3.1.0.02-[2-[[2-(trifluoromethyloxy)phenyl]amino]ethanoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)Oc1ccccc1NCC(=O)Nc1ccccc1C(=O)O
InChIInChI1.06InChI=1S/C16H13F3N2O4/c17-16(18,19)25-13-8-4-3-7-12(13)20-9-14(22)21-11-6-2-1-5-10(11)15(23)24/h1-8,20H,9H2,(H,21,22)(H,23,24)
InChIKeyInChI1.06QIIAYOSALJNQLO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1NC(=O)CNc2ccccc2OC(F)(F)F
SMILESCACTVS3.385OC(=O)c1ccccc1NC(=O)CNc2ccccc2OC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)O)NC(=O)CNc2ccccc2OC(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C(=O)O)NC(=O)CNc2ccccc2OC(F)(F)F

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PDB entries from 2026-11-04

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