(2S)-2-[[(2R)-5-cyano-2-methyl-4-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2R)-5-cyano-2-methyl-1,4-dioxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2R)-5-cyano-2-methyl-4-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2R)-5-cyano-4-keto-2-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C)CC(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-8(2)6-11(13(18)19)15-12(17)9(3)7-10(16)4-5-14/h8-9,11H,4,6-7H2,1-3H3,(H,15,17)(H,18,19)/t9-,11+/m1/s1