[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-oxidanyl-phosphanyl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-oxidanyl-phosphanyl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-hydroxyphosphino]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-hydroxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphino]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C53H54N7O14P MolecularWeight: 1044.008121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(O)OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)OC(=O)CCC(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(O)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)OC(=O)CCC(=O)C

InChI

InChI=1S/C53H54N7O14P/c1-32-27-59(52(65)58-50(32)63)44-25-40(73-46(62)24-15-33(2)61)43(72-44)29-70-75(66)74-41-26-45(60-31-56-47-48(54-30-55-49(47)60)57-51(64)34-11-7-5-8-12-34)71-42(41)28-69-53(35-13-9-6-10-14-35,36-16-20-38(67-3)21-17-36)37-18-22-39(68-4)23-19-37/h5-14,16-23,27,30-31,40-45,66H,15,24-26,28-29H2,1-4H3,(H,58,63,65)(H,54,55,57,64)/t40-,41-,42+,43+,44+,45+,75?/m0/s1