4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-4-keto-butyric acid Formula: C42H39N5O9 MolecularWeight: 757.78716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OC(=O)CCC(=O)O

InChI

InChI=1S/C42H39N5O9/c1-52-31-17-13-29(14-18-31)42(28-11-7-4-8-12-28,30-15-19-32(53-2)20-16-30)54-24-34-33(56-37(50)22-21-36(48)49)23-35(55-34)47-26-45-38-39(43-25-44-40(38)47)46-41(51)27-9-5-3-6-10-27/h3-20,25-26,33-35H,21-24H2,1-2H3,(H,48,49)(H,43,44,46,51)/t33-,34+,35+/m0/s1