Isis 10967

Structural Information

Molecular Formula

C₁₉₁H₂₄₅N₇₀O₉₉P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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=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=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C191H245N70O99P19S19/c1-78-43-251(188(280)238-169(78)264)141-24-83(102(47-262)322-141)342-362(285,381)304-49-104-85(26-133(324-104)243-15-6-123(193)224-180(243)272)344-363(286,382)305-52-107-88(29-136(327-107)246-18-9-126(196)227-183(246)275)347-366(289,385)313-58-113-94(35-143(333-113)253-45-80(3)171(266)240-190(253)282)353-372(295,391)315-60-115-95(36-144(335-115)254-46-81(4)172(267)241-191(254)283)354-373(296,392)314-59-114-93(34-142(334-114)252-44-79(2)170(265)239-189(252)281)352-371(294,390)308-54-109-90(31-138(329-109)248-20-11-128(198)229-185(248)277)350-369(292,388)320-65-120-100(41-149(340-120)260-76-221-156-167(260)233-177(206)236-174(156)269)359-377(300,396)312-57-112-92(33-140(332-112)250-22-13-130(200)231-187(250)279)351-370(293,389)321-66-121-101(42-150(341-121)261-77-222-157-168(261)234-178(207)237-175(157)270)360-379(302,398)319-64-119-98(39-147(339-119)257-73-218-153-160(203)210-69-214-164(153)257)357-375(298,394)310-55-110-87(28-135(330-110)245-17-8-125(195)226-182(245)274)346-365(288,384)306-51-106-86(27-134(326-106)244-16-7-124(194)225-181(244)273)345-364(287,383)307-53-108-89(30-137(328-108)247-19-10-127(197)228-184(247)276)348-367(290,386)317-62-117-99(40-148(337-117)258-74-219-154-161(204)211-70-215-165(154)258)358-378(301,397)318-63-118-97(38-146(338-118)256-72-217-152-159(202)209-68-213-163(152)256)356-376(299,395)311-56-111-91(32-139(331-111)249-21-12-129(199)230-186(249)278)349-368(291,387)316-61-116-96(37-145(336-116)255-71-216-151-158(201)208-67-212-162(151)255)355-374(297,393)309-50-105-84(25-132(325-105)242-14-5-122(192)223-179(242)271)343-361(284,380)303-48-103-82(263)23-131(323-103)259-75-220-155-166(259)232-176(205)235-173(155)268/h5-22,43-46,67-77,82-121,131-150,262-263H,23-42,47-66H2,1-4H3,(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)(H,302,398)(H2,192,223,271)(H2,193,224,272)(H2,194,225,273)(H2,195,226,274)(H2,196,227,275)(H2,197,228,276)(H2,198,229,277)(H2,199,230,278)(H2,200,231,279)(H2,201,208,212)(H2,202,209,213)(H2,203,210,214)(H2,204,211,215)(H,238,264,280)(H,239,265,281)(H,240,266,282)(H,241,267,283)(H3,205,232,235,268)(H3,206,233,236,269)(H3,207,234,237,270)

InChIKey

QZKJKUGPLOXUAS-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204727