Isis 6533

Structural Information

Molecular Formula

C₁₉₂H₂₄₅N₇₂O₉₉P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=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(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)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=NC2=C(N=CN=C21)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C192H245N72O99P19S19/c1-77-41-253(189(283)241-169(77)267)138-31-91(354-373(296,392)311-50-106-85(25-132(330-106)247-15-7-123(195)227-183(247)277)348-367(290,386)309-48-104-84(24-131(328-104)246-14-6-122(194)226-182(246)276)347-366(289,385)308-47-103-83(23-130(327-103)245-13-5-121(193)225-181(245)275)346-364(287,383)306-46-102-81(266)21-129(326-102)261-73-221-153-165(261)233-177(205)237-173(153)271)111(335-138)55-316-369(292,388)350-87-27-134(249-17-9-125(197)229-185(249)279)331-107(87)51-312-374(297,393)355-92-32-139(254-42-78(2)170(268)242-190(254)284)336-112(92)56-317-370(293,389)352-89-29-136(251-19-11-127(199)231-187(251)281)334-110(89)54-315-379(302,398)361-99-39-147(263-75-223-155-167(263)235-179(207)239-175(155)273)344-120(99)64-324-382(305,401)363-100-40-148(264-76-224-156-168(264)236-180(208)240-176(156)274)343-119(100)63-323-376(299,395)357-94-34-141(256-44-80(4)172(270)244-192(256)286)338-114(94)58-319-380(303,399)360-97-37-145(260-72-220-152-160(204)212-68-216-164(152)260)340-116(97)60-321-375(298,394)356-93-33-140(255-43-79(3)171(269)243-191(255)285)337-113(93)57-318-371(294,390)351-88-28-135(250-18-10-126(198)230-186(250)280)333-109(88)53-314-377(300,396)358-95-35-143(258-70-218-150-158(202)210-66-214-162(150)258)339-115(95)59-320-372(295,391)353-90-30-137(252-20-12-128(200)232-188(252)282)329-105(90)49-310-368(291,387)349-86-26-133(248-16-8-124(196)228-184(248)278)332-108(86)52-313-378(301,397)359-96-36-144(259-71-219-151-159(203)211-67-215-163(151)259)341-117(96)61-322-381(304,400)362-98-38-146(262-74-222-154-166(262)234-178(206)238-174(154)272)342-118(98)62-307-365(288,384)345-82-22-142(325-101(82)45-265)257-69-217-149-157(201)209-65-213-161(149)257/h5-20,41-44,65-76,81-120,129-148,265-266H,21-40,45-64H2,1-4H3,(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)(H,303,399)(H,304,400)(H,305,401)(H2,193,225,275)(H2,194,226,276)(H2,195,227,277)(H2,196,228,278)(H2,197,229,279)(H2,198,230,280)(H2,199,231,281)(H2,200,232,282)(H2,201,209,213)(H2,202,210,214)(H2,203,211,215)(H2,204,212,216)(H,241,267,283)(H,242,268,284)(H,243,269,285)(H,244,270,286)(H3,205,233,237,271)(H3,206,234,238,272)(H3,207,235,239,273)(H3,208,236,240,274)

InChIKey

CCHFYKLZBQAOFN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131592