(2S)-2-[[(E)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(E)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(E)-[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]glutaric acid Formula: C13H17N2O9P MolecularWeight: 376.255841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC=C(/C(=C\N[C@@H](CCC(=O)O)C(=O)O)/C1=O)COP(=O)(O)O

InChI

InChI=1S/C13H17N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4-5,10,15H,2-3,6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/b9-5+/t10-/m0/s1