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

Systemtic Name: 2-[[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-oxidanyl-methyl]amino]pentanoic acid Openeye Name: 2-[[hydroxy-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyl]amino]pentanoic acid CAS Name: 2-[[hydroxy-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: 2-[[hydroxy-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]pentanoic acid Traditional Name: 2-[[hydroxy-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyl]amino]valeric acid Formula: C13H21N2O8P MolecularWeight: 364.288201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(C1=C(C(=NC=C1COP(=O)(O)O)C)O)O

Isomeric SMILES

CCCC(C(=O)O)NC(C1=C(C(=NC=C1COP(=O)(O)O)C)O)O

InChI

InChI=1S/C13H21N2O8P/c1-3-4-9(13(18)19)15-12(17)10-8(6-23-24(20,21)22)5-14-7(2)11(10)16/h5,9,12,15-17H,3-4,6H2,1-2H3,(H,18,19)(H2,20,21,22)