[(2R,3R,4R,5R,6R)-2-[[2-(2-methylpropanoylamino)-6-phenylmethoxy-7H-purin-8-yl]methyl]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R,6R)-2-[[2-(2-methylpropanoylamino)-6-phenylmethoxy-7H-purin-8-yl]methyl]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6R)-3,5-dibenzyloxy-2-(benzyloxymethyl)-6-[[6-benzyloxy-2-(2-methylpropanoylamino)-7H-purin-8-yl]methyl]tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R,6R)-2-[[2-[(2-methyl-1-oxopropyl)amino]-6-phenylmethoxy-7H-purin-8-yl]methyl]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-2-[[2-(2-methylpropanoylamino)-6-phenylmethoxy-7H-purin-8-yl]methyl]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6R)-3,5-dibenzoxy-2-[[6-benzoxy-2-(isobutyrylamino)-7H-purin-8-yl]methyl]-6-(benzoxymethyl)tetrahydropyran-4-yl] ester Formula: C46H49N5O8 MolecularWeight: 799.90996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)NC(=N2)CC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C)OCC7=CC=CC=C7

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)NC(=N2)C[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C)OCC7=CC=CC=C7

InChI

InChI=1S/C46H49N5O8/c1-30(2)44(53)50-46-49-43-39(45(51-46)57-28-35-22-14-7-15-23-35)47-38(48-43)24-36-40(55-26-33-18-10-5-11-19-33)42(58-31(3)52)41(56-27-34-20-12-6-13-21-34)37(59-36)29-54-25-32-16-8-4-9-17-32/h4-23,30,36-37,40-42H,24-29H2,1-3H3,(H2,47,48,49,50,51,53)/t36-,37-,40-,41-,42-/m1/s1