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

Systemtic Name: 4-(2-azanylethoxy)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid Openeye Name: 4-(2-aminoethoxy)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanoic acid CAS Name: 4-(2-aminoethoxy)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]butanoic acid IUPAC Name: 4-(2-aminoethoxy)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanoic acid Traditional Name: 4-(2-aminoethoxy)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butyric acid Formula: C14H24N3O8P MolecularWeight: 393.329421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)