Isis 10961

Structural Information

Molecular Formula

C₁₉₁H₂₄₅N₇₀O₉₉P₁₉S₁₉

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=NC2=C(N=CN=C21)N)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/C191H245N70O99P19S19/c1-78-43-251(188(280)238-169(78)264)131-23-82(263)103(323-131)48-303-361(284,380)343-84-25-132(242-14-5-122(192)223-179(242)271)325-105(84)50-309-374(297,393)355-96-37-144(255-71-216-151-158(201)208-67-212-162(151)255)336-116(96)61-316-368(291,387)349-91-32-139(249-21-12-129(199)230-186(249)278)331-111(91)56-311-375(298,394)356-97-38-145(256-72-217-152-159(202)209-68-213-163(152)256)337-117(97)62-317-372(295,391)353-94-35-142(253-45-80(3)171(266)240-190(253)282)333-113(94)58-314-367(290,386)348-89-30-137(247-19-10-127(197)228-184(247)276)328-108(89)53-307-364(287,383)345-86-27-134(244-16-7-124(194)225-181(244)273)326-106(86)51-306-365(288,384)346-87-28-135(245-17-8-125(195)226-182(245)274)330-110(87)55-310-376(299,395)357-98-39-146(257-73-218-153-160(203)210-69-214-164(153)257)339-119(98)64-319-379(302,398)360-101-42-150(261-77-222-157-168(261)234-178(207)237-175(157)270)341-121(101)66-321-370(293,389)351-92-33-140(250-22-13-130(200)231-187(250)279)332-112(92)57-312-377(300,396)359-100-41-149(260-76-221-156-167(260)233-177(206)236-174(156)269)340-120(100)65-320-369(292,388)350-90-31-138(248-20-11-128(198)229-185(248)277)329-109(90)54-308-371(294,390)352-93-34-141(252-44-79(2)170(265)239-189(252)281)335-115(93)60-315-378(301,397)358-99-40-147(258-74-219-154-161(204)211-70-215-165(154)258)338-118(99)63-318-373(296,392)354-95-36-143(254-46-81(4)172(267)241-191(254)283)334-114(95)59-313-366(289,385)347-88-29-136(246-18-9-126(196)227-183(246)275)327-107(88)52-305-363(286,382)344-85-26-133(243-15-6-123(193)224-180(243)272)324-104(85)49-304-362(285,381)342-83-24-148(322-102(83)47-262)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

KXWSYCIZDDTYOD-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-(6-aminopurin-9-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 16131637