[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H23N3O4/c1-11(2)17(22-18(24)14-8-6-5-7-12(14)3)19(25)26-10-16(23)15(9-20)13(4)21/h5-8,11,15,17,21H,10H2,1-4H3,(H,22,24)/t15-,17+/m1/s1