2-[(1-cyano-3-oxidanyl-pyrrolidin-1-ium-1-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: 2-[(1-cyano-3-oxidanyl-pyrrolidin-1-ium-1-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: 2-[(1-cyano-3-hydroxy-pyrrolidin-1-ium-1-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(1-cyano-3-hydroxy-1-pyrrolidin-1-iumyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: 2-[(1-cyano-3-hydroxypyrrolidin-1-ium-1-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(1-cyano-3-hydroxy-pyrrolidin-1-ium-1-carbonyl)amino]-4-methyl-valerate Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)[N+]1(CCC(C1)O)C#N

Isomeric SMILES

CC(C)CC(C(=O)[O-])NC(=O)[N+]1(CCC(C1)O)C#N

InChI

InChI=1S/C12H19N3O4/c1-8(2)5-10(11(17)18)14-12(19)15(7-13)4-3-9(16)6-15/h8-10,16H,3-6H2,1-2H3,(H-,14,17,18,19)