Isis 10498

Structural Information

Molecular Formula

C₁₉₁H₂₄₃N₇₆O₉₆P₁₉S₁₉

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(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=CC(=NC1=O)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=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)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=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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C191H243N76O96P19S19/c1-77-41-257(190(285)246-171(77)270)138-31-89(354-374(297,393)310-47-103-86(28-135(329-103)254-18-9-125(198)235-187(254)282)352-372(295,391)323-61-117-96(38-145(343-117)265-74-226-154-168(265)239-178(207)243-174(154)273)356-364(287,383)306-44-100-79(269)21-128(326-100)264-73-225-153-167(264)238-177(206)242-173(153)272)109(335-138)53-316-368(291,387)348-83-25-132(251-15-6-122(195)232-184(251)279)332-106(83)50-313-377(300,396)358-92-34-141(260-69-221-149-158(202)211-64-216-163(149)260)339-113(92)57-320-375(298,394)355-90-32-139(258-42-78(2)172(271)247-191(258)286)336-110(90)54-317-369(292,388)349-84-26-133(252-16-7-123(196)233-185(252)280)331-105(84)49-312-376(299,395)357-91-33-140(259-68-220-148-157(201)210-63-215-162(148)259)337-111(91)55-318-371(294,390)351-87-29-136(255-19-10-126(199)236-188(255)283)333-107(87)51-314-379(302,398)359-93-35-142(261-70-222-150-159(203)212-65-217-164(150)261)340-114(93)58-321-381(304,400)361-95-37-144(263-72-224-152-161(205)214-67-219-166(152)263)338-112(95)56-319-370(293,389)350-85-27-134(253-17-8-124(197)234-186(253)281)328-102(85)46-309-366(289,385)346-81-23-130(249-13-4-120(193)230-182(249)277)327-101(81)45-308-367(290,386)347-82-24-131(250-14-5-121(194)231-183(250)278)330-104(82)48-311-378(301,397)360-94-36-143(262-71-223-151-160(204)213-66-218-165(151)262)341-115(94)59-322-382(305,401)363-98-40-147(267-76-228-156-170(267)241-180(209)245-176(156)275)344-118(98)62-324-373(296,392)353-88-30-137(256-20-11-127(200)237-189(256)284)334-108(88)52-315-380(303,399)362-97-39-146(266-75-227-155-169(266)240-179(208)244-175(155)274)342-116(97)60-307-365(288,384)345-80-22-129(325-99(80)43-268)248-12-3-119(192)229-181(248)276/h3-20,41-42,63-76,79-118,128-147,268-269H,21-40,43-62H2,1-2H3,(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)(H2,192,229,276)(H2,193,230,277)(H2,194,231,278)(H2,195,232,279)(H2,196,233,280)(H2,197,234,281)(H2,198,235,282)(H2,199,236,283)(H2,200,237,284)(H2,201,210,215)(H2,202,211,216)(H2,203,212,217)(H2,204,213,218)(H2,205,214,219)(H,246,270,285)(H,247,271,286)(H3,206,238,242,272)(H3,207,239,243,273)(H3,208,240,244,274)(H3,209,241,245,275)

InChIKey

MHCALYUXNRHENI-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204712