[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-14-9-11-18(12-10-14)23-21(26)15(2)27-20(25)13-19(22-16(3)24)17-7-5-4-6-8-17/h4-12,15,19H,13H2,1-3H3,(H,22,24)(H,23,26)/t15-,19+/m0/s1