[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)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)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)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)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)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)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphino]oxymethyl]-5-(6-benzamido-9-purinyl)-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)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)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)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphino]oxymethyl]-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphino]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C48H52N10O18P2 MolecularWeight: 1118.930202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(O)OC3CC(OC3COP(O)OC4CC(OC4CO)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)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]3COP(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9)OC(=O)CCC(=O)C

InChI

InChI=1S/C48H52N10O18P2/c1-26-20-57(48(66)55-44(26)62)38-17-30(74-40(61)14-13-27(2)60)34(72-38)22-69-78(68)76-32-19-39(58-25-51-41-42(49-24-50-43(41)58)54-46(64)29-11-7-4-8-12-29)73-35(32)23-70-77(67)75-31-18-37(71-33(31)21-59)56-16-15-36(53-47(56)65)52-45(63)28-9-5-3-6-10-28/h3-12,15-16,20,24-25,30-35,37-39,59,67-68H,13-14,17-19,21-23H2,1-2H3,(H,55,62,66)(H,49,50,54,64)(H,52,53,63,65)/t30-,31-,32-,33+,34+,35+,37+,38+,39+,77?,78?/m0/s1