[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)[C@H](C#N)C(=N)C)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C18H22N4O4/c1-11(2)16(22-18(25)21-13-7-5-4-6-8-13)17(24)26-10-15(23)14(9-19)12(3)20/h4-8,11,14,16,20H,10H2,1-3H3,(H2,21,22,25)/t14-,16-/m1/s1