[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-methylphosphoryl]oxymethyl]-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl] ester Formula: C65H72N10O20P2 MolecularWeight: 1375.269702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=CC(=NC7=O)NC(=O)C8=CC=CC=C8)OP(=O)(C)OCC9C(CC(O9)N1C=NC2=C1NC(=NC2=O)NC(=O)C(C)C)OC(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C)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=CC(=NC7=O)NC(=O)C8=CC=CC=C8)O[P@@](=O)(C)OC[C@@H]9[C@H](C[C@@H](O9)N1C=NC2=C1NC(=NC2=O)NC(=O)C(C)C)OC(=O)C

InChI

InChI=1S/C65H72N10O20P2/c1-37(2)58(77)70-62-69-57-56(61(80)71-62)66-36-75(57)55-29-46(90-39(4)76)50(92-55)34-88-96(7,83)95-48-31-54(74-32-38(3)59(78)72-64(74)82)93-51(48)35-89-97(8,84)94-47-30-53(73-28-27-52(68-63(73)81)67-60(79)40-15-11-9-12-16-40)91-49(47)33-87-65(41-17-13-10-14-18-41,42-19-23-44(85-5)24-20-42)43-21-25-45(86-6)26-22-43/h9-28,32,36-37,46-51,53-55H,29-31,33-35H2,1-8H3,(H,72,78,82)(H,67,68,79,81)(H2,69,70,71,77,80)/t46-,47-,48-,49+,50+,51+,53+,54+,55+,96+,97+/m0/s1