(2S)-4-[[2-methyl-3-oxidanylidene-6-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]-2-oxidanyl-butanoate

Systemtic Name: (2S)-4-[[2-methyl-3-oxidanylidene-6-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]-2-oxidanyl-butanoate Openeye Name: (2S)-2-hydroxy-4-[[2-methyl-3-oxo-6-(phosphonatooxymethyl)-4-pyridylidene]methylamino]butanoate CAS Name: (2S)-2-hydroxy-4-[[2-methyl-3-oxo-6-(phosphonatooxymethyl)-4-pyridinylidene]methylamino]butanoate IUPAC Name: (2S)-2-hydroxy-4-[[2-methyl-3-oxo-6-(phosphonatooxymethyl)pyridin-4-ylidene]methylamino]butanoate Traditional Name: (2S)-2-hydroxy-4-[[3-keto-2-methyl-6-(phosphatomethyl)-4-pyridylidene]methylamino]butyrate Formula: C12H14N2O8P-3 MolecularWeight: 345.221921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=CNCCC(C(=O)[O-])O)C1=O)COP(=O)([O-])[O-]

Isomeric SMILES

CC1=NC(=CC(=CNCC[C@@H](C(=O)[O-])O)C1=O)COP(=O)([O-])[O-]

InChI

InChI=1S/C12H17N2O8P/c1-7-11(16)8(5-13-3-2-10(15)12(17)18)4-9(14-7)6-22-23(19,20)21/h4-5,10,13,15H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21)/p-3/t10-/m0/s1