2-acetamidopentanedioic acid; 4-[cyano(dimethyl)azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: 2-acetamidopentanedioic acid; 4-[cyano(dimethyl)azaniumyl]-3-oxidanyl-butanoate Openeye Name: 2-acetamidopentanedioic acid; 4-[cyano(dimethyl)ammonio]-3-hydroxy-butanoate CAS Name: 2-acetamidopentanedioic acid; 4-[cyano(dimethyl)ammonio]-3-hydroxybutanoate IUPAC Name: 2-acetamidopentanedioic acid; 4-[cyano(dimethyl)azaniumyl]-3-hydroxybutanoate Traditional Name: 2-acetamidoglutaric acid; 4-[cyano(dimethyl)ammonio]-3-hydroxy-butyrate Formula: C14H23N3O8 MolecularWeight: 361.34772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O3.C7H11NO5/c1-9(2,5-8)4-6(10)3-7(11)12;1-4(9)8-5(7(12)13)2-3-6(10)11/h6,10H,3-4H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)