Isis 10481

Structural Information

Molecular Formula

C₁₄₃H₁₈₃N₅₅O₇₂P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C143H183N55O72P14S14/c1-59-32-191(142(212)182-129(59)201)98-17-61(200)77(243-98)35-228-271(214,285)258-63-19-99(184-10-3-91(144)171-135(184)205)245-79(63)37-232-279(222,293)265-70-26-107(193-53-165-113-119(151)157-49-161-123(113)193)251-85(70)43-236-276(219,290)263-68-24-104(189-15-8-96(149)176-140(189)210)249-83(68)41-234-281(224,295)266-71-27-108(194-54-166-114-120(152)158-50-162-124(114)194)253-87(71)45-238-283(226,297)268-73-29-110(196-56-168-116-122(154)160-52-164-126(116)196)252-86(73)44-237-275(218,289)262-67-23-103(188-14-7-95(148)175-139(188)209)247-81(67)39-231-273(216,287)259-65-21-101(186-12-5-93(146)173-137(186)207)246-80(65)38-230-274(217,288)260-66-22-102(187-13-6-94(147)174-138(187)208)248-82(66)40-233-280(223,294)267-72-28-109(195-55-167-115-121(153)159-51-163-125(115)195)254-88(72)46-239-284(227,298)270-75-31-112(198-58-170-118-128(198)179-134(156)181-132(118)204)256-90(75)48-241-278(221,292)264-69-25-105(190-16-9-97(150)177-141(190)211)250-84(69)42-235-282(225,296)269-74-30-111(197-57-169-117-127(197)178-133(155)180-131(117)203)255-89(74)47-240-277(220,291)261-64-20-100(185-11-4-92(145)172-136(185)206)244-78(64)36-229-272(215,286)257-62-18-106(242-76(62)34-199)192-33-60(2)130(202)183-143(192)213/h3-16,32-33,49-58,61-90,98-112,199-200H,17-31,34-48H2,1-2H3,(H,214,285)(H,215,286)(H,216,287)(H,217,288)(H,218,289)(H,219,290)(H,220,291)(H,221,292)(H,222,293)(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,227,298)(H2,144,171,205)(H2,145,172,206)(H2,146,173,207)(H2,147,174,208)(H2,148,175,209)(H2,149,176,210)(H2,150,177,211)(H2,151,157,161)(H2,152,158,162)(H2,153,159,163)(H2,154,160,164)(H,182,201,212)(H,183,202,213)(H3,155,178,180,203)(H3,156,179,181,204)

InChIKey

WOBJUXUKOKHEDJ-UHFFFAOYSA-N

Compound name

1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204723