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

Systemtic Name: (2S)-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanedioic acid Openeye Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-butanedioic acid CAS Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-2-methylbutanedioic acid IUPAC Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-2-methylbutanedioic acid Traditional Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-succinic acid Formula: C13H19N2O9P MolecularWeight: 378.271721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N2O9P/c1-7-11(18)9(8(4-14-7)6-24-25(21,22)23)5-15-13(2,12(19)20)3-10(16)17/h4,15,18H,3,5-6H2,1-2H3,(H,16,17)(H,19,20)(H2,21,22,23)/t13-/m0/s1