Isis 10964

Structural Information

Molecular Formula

C₁₉₁H₂₄₆N₆₇O₁₀₁P₁₉S₁₉

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(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)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=C(C(=O)NC1=O)C)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/C191H246N67O101P19S19/c1-78-44-248(187(278)234-167(78)261)132-24-83(260)104(322-132)50-302-360(283,379)342-85-26-133(239-15-6-123(192)219-178(239)269)324-106(85)52-308-374(297,393)355-98-39-146(253-72-213-152-158(201)207-69-210-161(152)253)336-118(98)64-316-367(290,386)348-92-33-140(246-22-13-130(199)226-185(246)276)330-112(92)58-310-375(298,394)356-99-40-147(254-73-214-153-159(202)208-70-211-162(153)254)337-119(99)65-317-373(296,392)354-97-38-145(252-48-82(5)171(265)238-191(252)282)333-115(97)61-313-366(289,385)347-90-31-138(244-20-11-128(197)224-183(244)274)327-109(90)55-306-363(286,382)344-87-28-135(241-17-8-125(194)221-180(241)271)325-107(87)53-305-364(287,383)345-88-29-136(242-18-9-126(195)222-181(242)272)329-111(88)57-309-376(299,395)357-100-41-148(255-74-215-154-160(203)209-71-212-163(154)255)338-120(100)66-318-378(301,397)359-102-43-151(258-77-218-157-166(258)230-177(206)233-174(157)268)340-122(102)68-320-369(292,388)350-93-34-141(247-23-14-131(200)227-186(247)277)331-113(93)59-311-377(300,396)358-101-42-150(257-76-217-156-165(257)229-176(205)232-173(156)267)339-121(101)67-319-368(291,387)349-91-32-139(245-21-12-129(198)225-184(245)275)328-110(91)56-307-370(293,389)351-94-35-142(249-45-79(2)168(262)235-188(249)279)334-116(94)62-314-372(295,391)353-96-37-144(251-47-81(4)170(264)237-190(251)281)335-117(96)63-315-371(294,390)352-95-36-143(250-46-80(3)169(263)236-189(250)280)332-114(95)60-312-365(288,384)346-89-30-137(243-19-10-127(196)223-182(243)273)326-108(89)54-304-362(285,381)343-86-27-134(240-16-7-124(193)220-179(240)270)323-105(86)51-303-361(284,380)341-84-25-149(321-103(84)49-259)256-75-216-155-164(256)228-175(204)231-172(155)266/h6-23,44-48,69-77,83-122,132-151,259-260H,24-43,49-68H2,1-5H3,(H,283,379)(H,284,380)(H,285,381)(H,286,382)(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)(H2,192,219,269)(H2,193,220,270)(H2,194,221,271)(H2,195,222,272)(H2,196,223,273)(H2,197,224,274)(H2,198,225,275)(H2,199,226,276)(H2,200,227,277)(H2,201,207,210)(H2,202,208,211)(H2,203,209,212)(H,234,261,278)(H,235,262,279)(H,236,263,280)(H,237,264,281)(H,238,265,282)(H3,204,228,231,266)(H3,205,229,232,267)(H3,206,230,233,268)

InChIKey

LLCXAPCYHYDWCD-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-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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-(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-(4-amino-2-oxopyrimidin-1-yl)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-(5-methyl-2,4-dioxopyrimidin-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]-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 16131634