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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-4-methyl-2-ureido-pentanoate CAS Name: (2R)-2-(carbamoylamino)-4-methylpentanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-ureido-valeric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C13H20N4O4 MolecularWeight: 296.3223

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4/c1-7(2)4-10(17-13(16)20)12(19)21-6-11(18)9(5-14)8(3)15/h7,9-10,15H,4,6H2,1-3H3,(H3,16,17,20)/t9-,10-/m1/s1