[(2R,3R,4S,5R)-2-(hydroxymethyl)-5-[2-oxidanylidene-4-(4-oxidanylidenepentanoylamino)pyrimidin-1-yl]-4-(4-oxidanylidenepentanoyloxy)oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-[2-oxidanylidene-4-(4-oxidanylidenepentanoylamino)pyrimidin-1-yl]-4-(4-oxidanylidenepentanoyloxy)oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(4-oxopentanoylamino)pyrimidin-1-yl]-4-(4-oxopentanoyloxy)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4S,5R)-4-(1,4-dioxopentoxy)-5-[4-(1,4-dioxopentylamino)-2-oxo-1-pyrimidinyl]-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-2-(hydroxymethyl)-5-[2-oxo-4-(4-oxopentanoylamino)pyrimidin-1-yl]-4-(4-oxopentanoyloxy)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4S,5R)-5-[2-keto-4-(4-ketopentanoylamino)pyrimidin-1-yl]-4-(4-ketopentanoyloxy)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C24H31N3O11 MolecularWeight: 537.51644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C

Isomeric SMILES

CC(=O)CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C

InChI

InChI=1S/C24H31N3O11/c1-13(29)4-7-18(32)25-17-10-11-27(24(35)26-17)23-22(38-20(34)9-6-15(3)31)21(16(12-28)36-23)37-19(33)8-5-14(2)30/h10-11,16,21-23,28H,4-9,12H2,1-3H3,(H,25,26,32,35)/t16-,21-,22+,23-/m1/s1