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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C23H28N2O4/c1-15(2)18-10-12-20(13-11-18)25-23(28)16(3)29-22(27)14-21(24-17(4)26)19-8-6-5-7-9-19/h5-13,15-16,21H,14H2,1-4H3,(H,24,26)(H,25,28)/t16-,21+/m0/s1