4-[[(Z)-[2-methyl-3-oxidanylidene-6-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]-2-oxidanyl-butanoic acid

Systemtic Name: 4-[[(Z)-[2-methyl-3-oxidanylidene-6-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]-2-oxidanyl-butanoic acid Openeye Name: 2-hydroxy-4-[[(Z)-[2-methyl-3-oxo-6-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butanoic acid CAS Name: 2-hydroxy-4-[[(Z)-[2-methyl-3-oxo-6-(phosphonooxymethyl)-4-pyridinylidene]methyl]amino]butanoic acid IUPAC Name: 2-hydroxy-4-[[(Z)-[2-methyl-3-oxo-6-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid Traditional Name: 2-hydroxy-4-[[(Z)-[3-keto-2-methyl-6-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butyric acid Formula: C12H17N2O8P MolecularWeight: 348.245741

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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(=C/C(=C/NCCC(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)/b8-5-