4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl 4-oxidanylidenepentanoate

Systemtic Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl 4-oxidanylidenepentanoate Openeye Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxybutyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxybutyl ester IUPAC Name: 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid 4-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxybutyl ester Formula: C50H65N6O11P MolecularWeight: 957.058461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCCCOC(=O)CCC(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCCCOC(=O)CCC(=O)C

InChI

InChI=1S/C50H65N6O11P/c1-32(2)47(59)53-49-52-46-45(48(60)54-49)51-31-55(46)43-29-41(67-68(56(33(3)4)34(5)6)65-28-14-13-27-63-44(58)26-17-35(7)57)42(66-43)30-64-50(36-15-11-10-12-16-36,37-18-22-39(61-8)23-19-37)38-20-24-40(62-9)25-21-38/h10-12,15-16,18-25,31-34,41-43H,13-14,17,26-30H2,1-9H3,(H2,52,53,54,59,60)/t41-,42+,43+,68?/m0/s1