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

Systemtic Name: 2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5-phosphono-pentanoic acid Openeye Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-5-phosphono-pentanoic acid CAS Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-5-phosphonopentanoic acid IUPAC Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5-phosphonopentanoic acid Traditional Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-5-phosphono-valeric acid Formula: C13H22N2O10P2 MolecularWeight: 428.268702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h5,11,15-16H,2-4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)