Isis 6552

Structural Information

Molecular Formula

C₁₉₂H₂₄₆N₆₉O₁₀₂P₁₉S₁₉

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(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C192H246N69O102P19S19/c1-76-42-250(188(282)237-165(76)264)137-30-89(352-371(294,390)309-50-104-83(24-131(328-104)244-16-8-123(195)221-182(244)276)346-364(287,383)306-48-102-81(263)22-129(326-102)242-14-6-121(193)219-180(242)274)110(334-137)56-314-374(297,393)355-92-33-140(253-45-79(4)168(267)240-191(253)285)335-111(92)57-315-377(300,396)357-94-35-142(255-69-212-149-156(201)208-67-210-158(149)255)339-115(94)61-319-380(303,399)358-95-36-143(256-70-213-150-157(202)209-68-211-159(150)256)338-114(95)60-318-368(291,387)350-88-29-136(249-21-13-128(200)226-187(249)281)332-108(88)54-312-376(299,395)359-96-37-144(257-71-214-151-160(257)227-175(203)232-170(151)269)343-119(96)65-323-382(305,401)363-100-41-148(261-75-218-155-164(261)231-179(207)236-174(155)273)342-118(100)64-322-375(298,394)356-93-34-141(254-46-80(5)169(268)241-192(254)286)333-109(93)55-313-367(290,386)348-86-27-134(247-19-11-126(198)224-185(247)279)329-105(86)51-308-366(289,385)347-85-26-133(246-18-10-125(197)223-184(246)278)330-106(85)52-310-372(295,391)353-90-31-138(251-43-77(2)166(265)238-189(251)283)336-112(90)58-316-378(301,397)360-97-38-145(258-72-215-152-161(258)228-176(204)233-171(152)270)340-116(97)62-321-370(293,389)351-87-28-135(248-20-12-127(199)225-186(248)280)331-107(87)53-311-373(296,392)354-91-32-139(252-44-78(3)167(266)239-190(252)284)337-113(91)59-317-379(302,398)361-98-39-146(259-73-216-153-162(259)229-177(205)234-172(153)271)344-120(98)66-324-381(304,400)362-99-40-147(260-74-217-154-163(260)230-178(206)235-173(154)272)341-117(99)63-320-369(292,388)349-84-25-132(245-17-9-124(196)222-183(245)277)327-103(84)49-307-365(288,384)345-82-23-130(325-101(82)47-262)243-15-7-122(194)220-181(243)275/h6-21,42-46,67-75,81-120,129-148,262-263H,22-41,47-66H2,1-5H3,(H,287,383)(H,288,384)(H,289,385)(H,290,386)(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H2,193,219,274)(H2,194,220,275)(H2,195,221,276)(H2,196,222,277)(H2,197,223,278)(H2,198,224,279)(H2,199,225,280)(H2,200,226,281)(H2,201,208,210)(H2,202,209,211)(H,237,264,282)(H,238,265,283)(H,239,266,284)(H,240,267,285)(H,241,268,286)(H3,203,227,232,269)(H3,204,228,233,270)(H3,205,229,234,271)(H3,206,230,235,272)(H3,207,231,236,273)

InChIKey

JZIWVTWDYSGTGS-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204701