Isis 10493

Structural Information

Molecular Formula

C₁₉₁H₂₄₄N₇₃O₉₈P₁₉S₁₉

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(=O)(OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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=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=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)O

InChI

InChI=1S/C191H244N73O98P19S19/c1-77-42-254(189(283)242-169(77)267)138-31-89(352-371(294,390)309-49-104-86(28-135(328-104)251-19-10-126(198)231-186(251)280)350-369(292,388)320-61-116-96(38-145(340-116)261-73-221-153-165(261)234-176(205)238-172(153)270)359-376(299,395)313-53-108-88(30-137(332-108)253-21-12-128(200)233-188(253)282)351-370(293,389)321-62-117-98(40-147(341-117)263-75-223-155-167(263)236-178(207)240-174(155)272)361-380(303,399)319-60-115-93(35-142(339-115)258-70-218-150-158(202)210-66-214-162(150)258)356-375(298,394)311-50-105-83(25-132(329-105)248-16-7-123(195)228-183(248)277)346-365(288,384)307-47-102-82(24-131(326-102)247-15-6-122(194)227-182(247)276)345-363(286,382)305-46-101-80(266)22-129(325-101)245-13-4-120(192)225-180(245)274)110(334-138)55-315-373(296,392)354-91-33-140(256-44-79(3)171(269)244-191(256)285)335-111(91)56-316-372(295,391)353-90-32-139(255-43-78(2)170(268)243-190(255)284)333-109(90)54-314-367(290,386)348-85-27-134(250-18-9-125(197)230-185(250)279)327-103(85)48-308-366(289,385)347-84-26-133(249-17-8-124(196)229-184(249)278)331-107(84)52-312-377(300,396)360-97-39-146(262-74-222-154-166(262)235-177(206)239-173(154)271)343-119(97)64-323-381(304,400)362-99-41-148(264-76-224-156-168(264)237-179(208)241-175(156)273)342-118(99)63-322-379(302,398)358-95-37-144(260-72-220-152-160(204)212-68-216-164(152)260)338-114(95)59-318-378(301,397)357-94-36-143(259-71-219-151-159(203)211-67-215-163(151)259)337-113(94)58-317-368(291,387)349-87-29-136(252-20-11-127(199)232-187(252)281)330-106(87)51-310-374(297,393)355-92-34-141(257-69-217-149-157(201)209-65-213-161(149)257)336-112(92)57-306-364(287,383)344-81-23-130(324-100(81)45-265)246-14-5-121(193)226-181(246)275/h4-21,42-44,65-76,80-119,129-148,265-266H,22-41,45-64H2,1-3H3,(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)(H,303,399)(H,304,400)(H2,192,225,274)(H2,193,226,275)(H2,194,227,276)(H2,195,228,277)(H2,196,229,278)(H2,197,230,279)(H2,198,231,280)(H2,199,232,281)(H2,200,233,282)(H2,201,209,213)(H2,202,210,214)(H2,203,211,215)(H2,204,212,216)(H,242,267,283)(H,243,268,284)(H,244,269,285)(H3,205,234,238,270)(H3,206,235,239,271)(H3,207,236,240,272)(H3,208,237,241,273)

InChIKey

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

Related CIDs

• CID 16204717