(2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanylidene-butanoic acid Openeye Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-oxo-butanoic acid CAS Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-oxobutanoic acid IUPAC Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxobutanoic acid Traditional Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-keto-butyric acid Formula: C12H17N2O8P MolecularWeight: 348.245741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(C(=O)C)C(=O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN[C@@H](C(=O)C)C(=O)O)COP(=O)(O)O

InChI

InChI=1S/C12H17N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,10,14,16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t10-/m0/s1