[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-11(2)8-16(23-18(25)13-4-6-14(20)7-5-13)19(26)27-10-17(24)15(9-21)12(3)22/h4-7,11,15-16,22H,8,10H2,1-3H3,(H,23,25)/t15-,16-/m1/s1