Isis 10496

Structural Information

Molecular Formula

C₁₉₁H₂₄₅N₇₀O₉₈P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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=CC(=NC1=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C191H245N70O98P19S19/c1-79-43-251(188(279)238-171(79)264)141-32-92(112(330-141)56-303-361(284,380)341-84-24-133(321-103(84)47-262)243-15-6-124(193)226-180(243)271)350-370(293,389)312-59-115-94(34-143(333-115)253-45-81(3)173(266)240-190(253)281)351-371(294,390)313-58-114-93(33-142(332-114)252-44-80(2)172(265)239-189(252)280)349-369(292,388)306-51-107-89(29-138(325-107)248-20-11-129(198)231-185(248)276)347-367(290,386)319-65-121-101(41-150(339-121)260-77-223-157-169(260)234-177(206)236-175(157)268)358-376(299,395)310-55-111-91(31-140(329-111)250-22-13-131(200)233-187(250)278)348-368(291,387)320-66-122-102(42-151(340-122)261-78-224-158-170(261)235-178(207)237-176(158)269)359-378(301,397)318-64-120-99(39-148(338-120)258-75-221-155-162(204)211-70-216-167(155)258)356-374(297,393)307-52-108-86(26-135(326-108)245-17-8-126(195)228-182(245)273)343-363(286,382)304-49-105-85(25-134(323-105)244-16-7-125(194)227-181(244)272)342-362(285,381)305-50-106-88(28-137(324-106)247-19-10-128(197)230-184(247)275)345-365(288,384)315-62-118-100(40-149(336-118)259-76-222-156-163(205)212-71-217-168(156)259)357-377(300,396)317-63-119-98(38-147(337-119)257-74-220-154-161(203)210-69-215-166(154)257)355-375(298,394)309-54-110-90(30-139(328-110)249-21-12-130(199)232-186(249)277)346-366(289,385)314-61-117-97(37-146(335-117)256-73-219-153-160(202)209-68-214-165(153)256)354-373(296,392)308-53-109-87(27-136(327-109)246-18-9-127(196)229-183(246)274)344-364(287,383)311-57-113-95(35-144(331-113)254-46-82(4)174(267)241-191(254)282)352-372(295,391)316-60-116-96(36-145(334-116)255-72-218-152-159(201)208-67-213-164(152)255)353-360(283,379)302-48-104-83(263)23-132(322-104)242-14-5-123(192)225-179(242)270/h5-22,43-46,67-78,83-122,132-151,262-263H,23-42,47-66H2,1-4H3,(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)(H2,192,225,270)(H2,193,226,271)(H2,194,227,272)(H2,195,228,273)(H2,196,229,274)(H2,197,230,275)(H2,198,231,276)(H2,199,232,277)(H2,200,233,278)(H2,201,208,213)(H2,202,209,214)(H2,203,210,215)(H2,204,211,216)(H2,205,212,217)(H,238,264,279)(H,239,265,280)(H,240,266,281)(H,241,267,282)(H3,206,234,236,268)(H3,207,235,237,269)

InChIKey

TXISYZPIYJBMSQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204714