(2S)-5-[(4-methylphenyl)amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[(4-methylphenyl)amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-methylanilino)-5-oxo-pentanoic acid CAS Name: (2S)-5-(4-methylanilino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-(4-methylanilino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-(p-toluidino)valeric acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-14-7-9-16(10-8-14)21-18(23)12-11-17(19(24)25)22-20(26)27-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t17-/m0/s1