[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-4-oxidanylidene-4-phenyl-2-phenylazanyl-butanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-4-oxidanylidene-4-phenyl-2-phenylazanyl-butanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (2S)-2-anilino-4-oxo-4-phenyl-butanoate CAS Name: (2S)-2-anilino-4-oxo-4-phenylbutanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-anilino-4-oxo-4-phenylbutanoate Traditional Name: (2S)-2-anilino-4-keto-4-phenyl-butyric acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C26H25NO4 MolecularWeight: 415.481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(CC(=O)C2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)[C@H](CC(=O)C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4/c1-18-13-15-21(16-14-18)25(29)19(2)31-26(30)23(27-22-11-7-4-8-12-22)17-24(28)20-9-5-3-6-10-20/h3-16,19,23,27H,17H2,1-2H3/t19-,23-/m0/s1