5-(2-acetamidophenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(2-acetamidophenyl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 5-(2-acetamidophenyl)-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: 5-(2-acetamidophenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2-acetamidophenyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 5-(2-acetamidophenyl)-2-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-14(24)22-17-10-6-5-9-16(17)19(25)12-11-18(20(26)27)23-21(28)29-13-15-7-3-2-4-8-15/h2-10,18H,11-13H2,1H3,(H,22,24)(H,23,28)(H,26,27)