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

Systemtic Name: (4R)-5-azanyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid Openeye Name: (4R)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid CAS Name: (4R)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]pentanoic acid IUPAC Name: (4R)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid Traditional Name: (4R)-5-amino-4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid Formula: C13H22N3O7P MolecularWeight: 363.303441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CCC(=O)O)CN)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN[C@H](CCC(=O)O)CN)COP(=O)(O)O

InChI

InChI=1S/C13H22N3O7P/c1-8-13(19)11(6-16-10(4-14)2-3-12(17)18)9(5-15-8)7-23-24(20,21)22/h5,10,16,19H,2-4,6-7,14H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m1/s1