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

Systemtic Name: (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanedioic acid Openeye Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]hexanedioic acid CAS Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]hexanedioic acid IUPAC Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanedioic acid Traditional Name: (2S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]adipic acid Formula: C14H21N2O9P MolecularWeight: 392.298301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N2O9P/c1-8-13(19)10(9(5-15-8)7-25-26(22,23)24)6-16-11(14(20)21)3-2-4-12(17)18/h5,11,16,19H,2-4,6-7H2,1H3,(H,17,18)(H,20,21)(H2,22,23,24)/t11-/m0/s1