5'-d(gsggt'gggt'gggt'gggst)-3'

Structural Information

Molecular Formula

C₁₆₆H₁₉₇N₆₈O₉₆P₁₅S₂

SMILES

CC#CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C#CC)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C#CC)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C166H197N68O96P15S2/c1-5-8-60-28-220(164(254)216-136(60)238)96-13-65(81(302-96)33-285-334(263,264)319-68-16-100(224-48-180-112-124(224)192-152(168)204-140(112)242)308-87(68)39-291-339(273,274)326-75-23-107(231-55-187-119-131(231)199-159(175)211-147(119)249)311-90(75)42-294-338(271,272)323-72-20-104(228-52-184-116-128(228)196-156(172)208-144(116)246)306-85(72)37-289-332(259,260)318-67-15-98(222-30-62(10-7-3)138(240)218-166(222)256)304-83(67)35-287-336(267,268)321-70-18-102(226-50-182-114-126(226)194-154(170)206-142(114)244)313-92(70)44-296-342(279,280)328-77-25-109(233-57-189-121-133(233)201-161(177)213-149(121)251)315-94(77)46-299-345(284,347)329-64-12-99(300-79(64)31-235)223-47-179-111-123(223)191-151(167)203-139(111)241)316-331(257,258)288-36-84-71(19-103(305-84)227-51-183-115-127(227)195-155(171)207-143(115)245)322-337(269,270)293-41-89-74(22-106(310-89)230-54-186-118-130(230)198-158(174)210-146(118)248)325-340(275,276)292-40-88-69(17-101(309-88)225-49-181-113-125(225)193-153(169)205-141(113)243)320-335(265,266)286-34-82-66(14-97(303-82)221-29-61(9-6-2)137(239)217-165(221)255)317-333(261,262)290-38-86-73(21-105(307-86)229-53-185-117-129(229)197-157(173)209-145(117)247)324-341(277,278)295-43-91-76(24-108(312-91)232-56-188-120-132(232)200-160(176)212-148(120)250)327-343(281,282)297-45-93-78(26-110(314-93)234-58-190-122-134(234)202-162(178)214-150(122)252)330-344(283,346)298-32-80-63(236)11-95(301-80)219-27-59(4)135(237)215-163(219)253/h27-30,47-58,63-110,235-236H,11-26,31-46H2,1-4H3,(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,346)(H,284,347)(H,215,237,253)(H,216,238,254)(H,217,239,255)(H,218,240,256)(H3,167,191,203,241)(H3,168,192,204,242)(H3,169,193,205,243)(H3,170,194,206,244)(H3,171,195,207,245)(H3,172,196,208,246)(H3,173,197,209,247)(H3,174,198,210,248)(H3,175,199,211,249)(H3,176,200,212,250)(H3,177,201,213,251)(H3,178,202,214,252)

InChIKey

DUULABLQVSVJCZ-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxo-5-prop-1-ynylpyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxo-5-prop-1-ynylpyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxo-5-prop-1-ynylpyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16134095