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

Systemtic Name: 4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid Openeye Name: 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanoic acid CAS Name: 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]butanoic acid IUPAC Name: 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid Traditional Name: 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butyric acid Formula: C12H19N2O7P MolecularWeight: 334.262221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCC(=O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCC(=O)O)COP(=O)(O)O

InChI

InChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)