3-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 3-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 3-[[4-[benzyloxycarbonyl(methyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 3-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 3-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 3-[[4-[carbobenzoxy(methyl)amino]benzoyl]amino]glutaric acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NC(CC(=O)O)CC(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NC(CC(=O)O)CC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O7/c1-23(21(29)30-13-14-5-3-2-4-6-14)17-9-7-15(8-10-17)20(28)22-16(11-18(24)25)12-19(26)27/h2-10,16H,11-13H2,1H3,(H,22,28)(H,24,25)(H,26,27)