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

Systemtic Name: 4-[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl 4-oxidanylidenepentanoate Openeye Name: 4-[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxybutyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid 4-[[(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxybutyl ester IUPAC Name: 4-[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid 4-[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxybutyl ester Formula: C53H63N6O10P MolecularWeight: 975.075281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCCCOC(=O)CCC(=O)C)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7

Isomeric SMILES

CC(C)N(C(C)C)P(OCCCCOC(=O)CCC(=O)C)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C53H63N6O10P/c1-36(2)59(37(3)4)70(67-31-15-14-30-65-48(61)29-20-38(5)60)69-45-32-47(58-35-56-49-50(54-34-55-51(49)58)57-52(62)39-16-10-8-11-17-39)68-46(45)33-66-53(40-18-12-9-13-19-40,41-21-25-43(63-6)26-22-41)42-23-27-44(64-7)28-24-42/h8-13,16-19,21-28,34-37,45-47H,14-15,20,29-33H2,1-7H3,(H,54,55,57,62)/t45-,46+,47+,70?/m0/s1