[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[[(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-methylphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C55H57N10O13P MolecularWeight: 1097.074041

Click to see the large picture

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(=O)(C)OCC7C(CC(O7)N8C=NC9=C8N=CN=C9NC(=O)C1=CC=CC=C1)OC(=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(=O)(C)OC[C@@H]7[C@H](C[C@@H](O7)N8C=NC9=C8N=CN=C9NC(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C55H57N10O13P/c1-32(2)51(67)62-54-61-50-47(53(69)63-54)59-31-65(50)45-26-41(42(76-45)27-73-55(35-15-11-8-12-16-35,36-17-21-38(71-4)22-18-36)37-19-23-39(72-5)24-20-37)78-79(6,70)74-28-43-40(75-33(3)66)25-44(77-43)64-30-58-46-48(56-29-57-49(46)64)60-52(68)34-13-9-7-10-14-34/h7-24,29-32,40-45H,25-28H2,1-6H3,(H,56,57,60,68)(H2,61,62,63,67,69)/t40-,41-,42+,43+,44+,45+,79?/m0/s1