[(2R,3R,4R,5R)-2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxidanylidene-3H-purin-9-yl]-4-(4-oxidanylidenepentanoyloxy)oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3R,4R,5R)-2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxidanylidene-3H-purin-9-yl]-4-(4-oxidanylidenepentanoyloxy)oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4R,5R)-2-[[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxymethyl]-5-[2-[(E)-dimethylaminomethyleneamino]-6-oxo-3H-purin-9-yl]-4-(4-oxopentanoyloxy)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4R,5R)-2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxymethyl]-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxo-3H-purin-9-yl]-4-(1,4-dioxopentoxy)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-5-[2-[(E)-dimethylaminomethylideneamino]-6-oxo-3H-purin-9-yl]-4-(4-oxopentanoyloxy)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4R,5R)-2-[[2-cyanoethoxy-(diisopropylamino)phosphino]oxymethyl]-5-[2-[(E)-dimethylaminomethyleneamino]-6-keto-3H-purin-9-yl]-4-(4-ketopentanoyloxy)tetrahydrofuran-3-yl] ester Formula: C32H47N8O10P MolecularWeight: 734.736941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N=CN(C)C)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC(=NC3=O)/N=C/N(C)C)OC(=O)CCC(=O)C)OC(=O)CCC(=O)C

InChI

InChI=1S/C32H47N8O10P/c1-19(2)40(20(3)4)51(46-15-9-14-33)47-16-23-27(49-24(43)12-10-21(5)41)28(50-25(44)13-11-22(6)42)31(48-23)39-18-34-26-29(39)36-32(37-30(26)45)35-17-38(7)8/h17-20,23,27-28,31H,9-13,15-16H2,1-8H3,(H,36,37,45)/b35-17+/t23-,27-,28-,31-,51?/m1/s1