5'-d[g-spg-sptsptsptsptsptspgsptspgspt]-3'-fi

Structural Information

Molecular Formula

C₁₃₁H₁₅₁N₃₅O₆₆P₁₀S₁₁

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)OC(=S)NC1=CC(=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C131H151N35O66P10S11/c1-50-28-156(124(183)149-108(50)170)88-17-66(222-131(243)140-57-8-11-60(63(14-57)119(181)182)99-61-12-9-58(168)15-64(61)210-65-16-59(169)10-13-62(65)99)78(212-88)36-200-234(191,245)230-74-25-96(164-47-137-101-105(164)142-121(133)146-116(101)178)220-86(74)44-208-239(196,250)229-73-24-94(162-34-56(7)114(176)155-130(162)189)218-84(73)42-207-242(199,253)232-76-27-98(166-49-139-103-107(166)144-123(135)148-118(103)180)221-87(76)45-209-240(197,251)228-72-23-93(161-33-55(6)113(175)154-129(161)188)216-82(72)40-205-237(194,248)226-70-21-91(159-31-53(4)111(173)152-127(159)186)214-80(70)38-203-235(192,246)224-68-19-89(157-29-51(2)109(171)150-125(157)184)213-79(68)37-202-236(193,247)225-69-20-90(158-30-52(3)110(172)151-126(158)185)215-81(69)39-204-238(195,249)227-71-22-92(160-32-54(5)112(174)153-128(160)187)217-83(71)41-206-241(198,252)231-75-26-97(165-48-138-102-106(165)143-122(134)147-117(102)179)219-85(75)43-201-233(190,244)223-67-18-95(211-77(67)35-167)163-46-136-100-104(163)141-120(132)145-115(100)177/h8-16,28-34,46-49,66-98,167-168H,17-27,35-45H2,1-7H3,(H,140,243)(H,181,182)(H,190,244)(H,191,245)(H,192,246)(H,193,247)(H,194,248)(H,195,249)(H,196,250)(H,197,251)(H,198,252)(H,199,253)(H,149,170,183)(H,150,171,184)(H,151,172,185)(H,152,173,186)(H,153,174,187)(H,154,175,188)(H,155,176,189)(H3,132,141,145,177)(H3,133,142,146,178)(H3,134,143,147,179)(H3,135,144,148,180)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,233?,234?,235?,236?,237?,238?,239?,240?,241?,242?/m0/s1

InChIKey

CDRYNKYZALGRIG-QCWKIRRYSA-N

Compound name

5-[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxycarbothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 23637678