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452

Summary
Name:2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID
Formula:C17 H14 Cl F N2 O4
Formal charge:0
Formula weight:364.755 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[N-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid
OpenEye OEToolkits1.5.02-[2-[(5-chloro-2-ethanoyl-4-fluoro-phenyl)amino]ethanoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(C(=O)C)c(cc1Cl)NCC(=O)Nc2ccccc2C(=O)O
SMILES_CANONICALCACTVS3.341CC(=O)c1cc(F)c(Cl)cc1NCC(=O)Nc2ccccc2C(O)=O
SMILESCACTVS3.341CC(=O)c1cc(F)c(Cl)cc1NCC(=O)Nc2ccccc2C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F
SMILESOpenEye OEToolkits1.5.0CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F
InChIInChI1.03InChI=1S/C17H14ClFN2O4/c1-9(22)11-6-13(19)12(18)7-15(11)20-8-16(23)21-14-5-3-2-4-10(14)17(24)25/h2-7,20H,8H2,1H3,(H,21,23)(H,24,25)
InChIKeyInChI1.03LBMZLHCAPBBOFS-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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