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J7B

Summary
Name:2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
Formula:C22 H20 N2 O3
Formal charge:0
Formula weight:360.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26)
InChIKeyInChI1.03VEQODTWEXCBUAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1cccc(c1)c2cccc(c2)C(=O)Nc3ccccc3CC(O)=O
SMILESCACTVS3.385NCc1cccc(c1)c2cccc(c2)C(=O)Nc3ccccc3CC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN

218196

PDB entries from 2024-04-10

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