[1-[(2R,4S,5R)-4-acetyloxy-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-2-oxidanylidene-pyrimidin-4-yl]sulfanylmethyl 2,2-dimethylpropanoate

Systemtic Name: [1-[(2R,4S,5R)-4-acetyloxy-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-2-oxidanylidene-pyrimidin-4-yl]sulfanylmethyl 2,2-dimethylpropanoate Openeye Name: [1-[(2R,4S,5R)-4-acetoxy-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-2-oxo-pyrimidin-4-yl]sulfanylmethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[1-[(2R,4S,5R)-4-acetyloxy-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-2-oxolanyl]-5-methyl-2-oxo-4-pyrimidinyl]thio]methyl ester IUPAC Name: [1-[(2R,4S,5R)-4-acetyloxy-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]sulfanylmethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [[1-[(2R,4S,5R)-4-acetoxy-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-2-keto-5-methyl-pyrimidin-4-yl]thio]methyl ester Formula: C49H57N4O16PS MolecularWeight: 1021.032841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)OCC6C(CC(O6)N7C=C(C(=NC7=O)SCOC(=O)C(C)(C)C)C)OC(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=C(C(=NC7=O)SCOC(=O)C(C)(C)C)C)OC(=O)C

InChI

InChI=1S/C49H57N4O16PS/c1-29-24-52(46(57)50-43(29)55)42-23-38(39(67-42)26-64-49(32-12-10-9-11-13-32,33-14-18-35(61-7)19-15-33)34-16-20-36(62-8)21-17-34)69-70(59,60)65-27-40-37(66-31(3)54)22-41(68-40)53-25-30(2)44(51-47(53)58)71-28-63-45(56)48(4,5)6/h9-21,24-25,37-42H,22-23,26-28H2,1-8H3,(H,59,60)(H,50,55,57)/t37-,38-,39+,40+,41+,42+/m0/s1