[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methylpropanoyloxy)-2-(3-phenylpropyl)oxolan-3-yl]oxy-4-(2-methylpropanoyloxy)-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2-methylpropanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methylpropanoyloxy)-2-(3-phenylpropyl)oxolan-3-yl]oxy-4-(2-methylpropanoyloxy)-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2-methylpropanoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methylpropanoyloxy)-2-(3-phenylpropyl)tetrahydrofuran-3-yl]oxy-5-benzyloxy-2-(benzyloxymethyl)-4-(2-methylpropanoyloxy)tetrahydropyran-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R)-5-(6-benzamido-9-purinyl)-4-(2-methyl-1-oxopropoxy)-2-(3-phenylpropyl)-3-oxolanyl]oxy]-4-(2-methyl-1-oxopropoxy)-5-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-(2-methylpropanoyloxy)-2-(3-phenylpropyl)oxolan-3-yl]oxy-4-(2-methylpropanoyloxy)-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-isobutyryloxy-2-(3-phenylpropyl)tetrahydrofuran-3-yl]oxy-5-benzoxy-2-(benzoxymethyl)-4-isobutyryloxy-tetrahydropyran-3-yl] ester Formula: C57H65N5O12 MolecularWeight: 1012.1523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C(OC(C(C1OC(=O)C(C)C)OCC2=CC=CC=C2)OC3C(OC(C3OC(=O)C(C)C)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)CCCC7=CC=CC=C7)COCC8=CC=CC=C8

Isomeric SMILES

CC(C)C(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C(C)C)OCC2=CC=CC=C2)O[C@@H]3[C@H](O[C@H]([C@@H]3OC(=O)C(C)C)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)CCCC7=CC=CC=C7)COCC8=CC=CC=C8

InChI

InChI=1S/C57H65N5O12/c1-35(2)54(64)71-46-43(32-67-30-39-22-13-8-14-23-39)70-57(49(47(46)72-55(65)36(3)4)68-31-40-24-15-9-16-25-40)74-45-42(29-19-26-38-20-11-7-12-21-38)69-53(48(45)73-56(66)37(5)6)62-34-60-44-50(58-33-59-51(44)62)61-52(63)41-27-17-10-18-28-41/h7-18,20-25,27-28,33-37,42-43,45-49,53,57H,19,26,29-32H2,1-6H3,(H,58,59,61,63)/t42-,43-,45-,46-,47+,48-,49-,53-,57-/m1/s1