2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 2-[[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]pentanoic acid CAS Name: 4-hydroxy-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methylamino]pentanoic acid IUPAC Name: 4-hydroxy-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]pentanoic acid Traditional Name: 4-hydroxy-2-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]valeric acid Formula: C13H19N2O8P MolecularWeight: 362.272321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC(C)O)C(=O)O)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=CNC(CC(C)O)C(=O)O)C1=O)COP(=O)(O)O

InChI

InChI=1S/C13H19N2O8P/c1-7(16)3-11(13(18)19)15-5-10-9(6-23-24(20,21)22)4-14-8(2)12(10)17/h4-5,7,11,15-16H,3,6H2,1-2H3,(H,18,19)(H2,20,21,22)