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4G7

Summary
Name:3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid
Formula:C17 H14 F N O6
Formal charge:0
Formula weight:347.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid
OpenEye OEToolkits1.9.23-[[[4-fluoranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]carbonylamino]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NC(c1c(OCC(O)=O)cc(cc1)F)=O)c2cc(C(O)=O)ccc2
InChIInChI1.03InChI=1S/C17H14FNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyInChI1.03NEABINVPHSWADT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)C(O)=O
SMILESCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F
SMILESOpenEye OEToolkits1.9.2c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F

221716

PDB entries from 2024-06-26

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