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

Systemtic Name: 6-azanyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanoic acid Openeye Name: 6-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]hexanoic acid CAS Name: 6-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]hexanoic acid IUPAC Name: 6-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanoic acid Traditional Name: 6-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]hexanoic acid Formula: C14H24N3O7P MolecularWeight: 377.330021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)