Isis 10963

Structural Information

Molecular Formula

C₁₉₁H₂₄₆N₆₇O₁₀₀P₁₉S₁₉

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(=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)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(=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/C191H246N67O100P19S19/c1-79-44-248(187(277)234-169(79)261)143-25-85(104(49-259)320-143)340-360(283,379)302-51-106-87(27-135(322-106)240-16-7-125(193)222-179(240)269)342-361(284,380)303-54-109-90(30-138(325-109)243-19-10-128(196)225-182(243)272)345-364(287,383)311-60-115-96(36-145(331-115)250-46-81(3)171(263)236-189(250)279)351-370(293,389)314-63-118-97(37-146(334-118)251-47-82(4)172(264)237-190(251)280)352-371(294,390)313-62-117-95(35-144(333-117)249-45-80(2)170(262)235-188(249)278)350-369(292,388)306-56-111-93(33-141(327-111)246-22-13-131(199)228-185(246)275)349-368(291,387)319-68-123-103(43-152(339-123)258-78-220-158-168(258)231-177(206)233-175(158)267)358-376(299,395)310-59-114-91(31-139(330-114)244-20-11-129(197)226-183(244)273)346-365(288,384)312-61-116-98(38-147(332-116)252-48-83(5)173(265)238-191(252)281)353-372(295,391)317-66-121-100(40-149(337-121)254-74-216-154-160(202)208-70-212-164(154)254)355-374(297,393)308-57-112-89(29-137(328-112)242-18-9-127(195)224-181(242)271)344-363(286,382)304-53-108-88(28-136(324-108)241-17-8-126(194)223-180(241)270)343-362(285,381)305-55-110-92(32-140(326-110)245-21-12-130(198)227-184(245)274)347-366(289,385)316-65-120-102(42-151(336-120)256-76-218-156-162(204)210-72-214-166(156)256)357-377(300,396)318-67-122-101(41-150(338-122)255-75-217-155-161(203)209-71-213-165(155)255)356-375(298,394)309-58-113-94(34-142(329-113)247-23-14-132(200)229-186(247)276)348-367(290,386)315-64-119-99(39-148(335-119)253-73-215-153-159(201)207-69-211-163(153)253)354-373(296,392)307-52-107-86(26-134(323-107)239-15-6-124(192)221-178(239)268)341-359(282,378)301-50-105-84(260)24-133(321-105)257-77-219-157-167(257)230-176(205)232-174(157)266/h6-23,44-48,69-78,84-123,133-152,259-260H,24-43,49-68H2,1-5H3,(H,282,378)(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)(H2,192,221,268)(H2,193,222,269)(H2,194,223,270)(H2,195,224,271)(H2,196,225,272)(H2,197,226,273)(H2,198,227,274)(H2,199,228,275)(H2,200,229,276)(H2,201,207,211)(H2,202,208,212)(H2,203,209,213)(H2,204,210,214)(H,234,261,277)(H,235,262,278)(H,236,263,279)(H,237,264,280)(H,238,265,281)(H3,205,230,232,266)(H3,206,231,233,267)

InChIKey

KZQMMVJPKIEHRF-UHFFFAOYSA-N

Compound name

1-[4-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[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-sulfanylphosphoryl]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]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]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 16131636