[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-4-methyl-2-ureido-pentanoate CAS Name: (2S)-2-(carbamoylamino)-4-methylpentanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-ureido-valeric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] 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(C)N)C#N)NC(=O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC(=O)/C(=C(\C)/N)/C#N)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/h7,10H,4,6,15H2,1-3H3,(H3,16,17,20)/b9-8+/t10-/m0/s1