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

Systemtic Name: (2S)-4-[(4-methylphenyl)amino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-4-(4-methylanilino)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-methylanilino)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (2S)-4-(4-methylanilino)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-keto-4-(p-toluidino)butyric acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-13-7-9-15(10-8-13)20-17(22)11-16(18(23)24)21-19(25)26-12-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,22)(H,21,25)(H,23,24)/t16-/m0/s1