(3S)-6-di(propan-2-yloxy)phosphoryl-3-(2-methoxypyrimidin-5-yl)-5-oxidanylidene-hexanoic acid

Systemtic Name: (3S)-6-di(propan-2-yloxy)phosphoryl-3-(2-methoxypyrimidin-5-yl)-5-oxidanylidene-hexanoic acid Openeye Name: (3S)-6-diisopropoxyphosphoryl-3-(2-methoxypyrimidin-5-yl)-5-oxo-hexanoic acid CAS Name: (3S)-6-di(propan-2-yloxy)phosphoryl-3-(2-methoxy-5-pyrimidinyl)-5-oxohexanoic acid IUPAC Name: (3S)-6-di(propan-2-yloxy)phosphoryl-3-(2-methoxypyrimidin-5-yl)-5-oxohexanoic acid Traditional Name: (3S)-6-diisopropoxyphosphoryl-5-keto-3-(2-methoxypyrimidin-5-yl)hexanoic acid Formula: C17H27N2O7P MolecularWeight: 402.379241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(CC(=O)CC(CC(=O)O)C1=CN=C(N=C1)OC)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CC(=O)C[C@@H](CC(=O)O)C1=CN=C(N=C1)OC)OC(C)C

InChI

InChI=1S/C17H27N2O7P/c1-11(2)25-27(23,26-12(3)4)10-15(20)6-13(7-16(21)22)14-8-18-17(24-5)19-9-14/h8-9,11-13H,6-7,10H2,1-5H3,(H,21,22)/t13-/m0/s1