[(1R)-1-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-1-phenyl-ethyl]phosphonic acid

Systemtic Name: [(1R)-1-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-1-phenyl-ethyl]phosphonic acid Openeye Name: [(1R)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-phenyl-ethyl]phosphonic acid CAS Name: [(1R)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-1-phenylethyl]phosphonic acid IUPAC Name: [(1R)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-1-phenylethyl]phosphonic acid Traditional Name: [(1R)-1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-phenyl-ethyl]phosphonic acid Formula: C16H22N2O8P2 MolecularWeight: 432.302002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(C)(C2=CC=CC=C2)P(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CN[C@@](C)(C2=CC=CC=C2)P(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C16H22N2O8P2/c1-11-15(19)14(12(8-17-11)10-26-28(23,24)25)9-18-16(2,27(20,21)22)13-6-4-3-5-7-13/h3-8,18-19H,9-10H2,1-2H3,(H2,20,21,22)(H2,23,24,25)/t16-/m1/s1