2-azanyl-4-[(3-azanyl-1-cyano-2-methyl-4-oxidanyl-4-oxidanylidene-butyl)diazenyl]-4-cyano-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-4-[(3-azanyl-1-cyano-2-methyl-4-oxidanyl-4-oxidanylidene-butyl)diazenyl]-4-cyano-3-methyl-butanoic acid Openeye Name: 2-amino-4-(3-amino-1-cyano-4-hydroxy-2-methyl-4-oxo-butyl)azo-4-cyano-3-methyl-butanoic acid CAS Name: 2-amino-4-(3-amino-1-cyano-4-hydroxy-2-methyl-4-oxobutyl)azo-4-cyano-3-methylbutanoic acid IUPAC Name: 2-amino-4-[(3-amino-1-cyano-4-hydroxy-2-methyl-4-oxobutyl)diazenyl]-4-cyano-3-methylbutanoic acid Traditional Name: 2-amino-4-(3-amino-1-cyano-4-hydroxy-4-keto-2-methyl-butyl)azo-4-cyano-3-methyl-butyric acid Formula: C12H18N6O4 MolecularWeight: 310.30912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6O4/c1-5(9(15)11(19)20)7(3-13)17-18-8(4-14)6(2)10(16)12(21)22/h5-10H,15-16H2,1-2H3,(H,19,20)(H,21,22)