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

Systemtic Name: 2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid Openeye Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid CAS Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]pentanoic acid IUPAC Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid Traditional Name: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid Formula: C13H21N2O7P MolecularWeight: 348.288801

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NCC1=C(C(=NC=C1COP(=O)(O)O)C)O

Isomeric SMILES

CCCC(C(=O)O)NCC1=C(C(=NC=C1COP(=O)(O)O)C)O

InChI

InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)