Isis 10494

Structural Information

Molecular Formula

C₁₉₂H₂₄₄N₇₅O₉₇P₁₉S₁₉

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(OC9CO)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)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)O

InChI

InChI=1S/C192H244N75O97P19S19/c1-77-40-256(190(285)245-171(77)270)137-29-89(110(336-137)53-317-376(299,395)356-91-31-139(258-42-79(3)173(272)247-192(258)287)337-111(91)54-318-375(298,394)355-90-30-138(257-41-78(2)172(271)246-191(257)286)335-109(90)52-316-370(293,389)350-85-25-133(252-16-8-124(197)233-186(252)281)329-103(85)46-310-369(292,388)349-84-24-132(251-15-7-123(196)232-185(251)280)333-107(84)50-314-379(302,398)362-97-37-145(265-74-226-154-168(265)238-179(207)242-175(154)274)345-119(97)62-325-383(306,402)364-99-39-147(267-76-228-156-170(267)240-181(209)244-177(156)276)344-118(99)61-324-381(304,400)360-95-35-143(263-72-224-152-161(205)214-67-219-166(152)263)340-114(95)57-320-380(303,399)359-93-33-141(261-70-222-150-159(203)212-65-217-164(150)261)338-112(93)55-308-366(289,385)346-81-21-129(326-100(81)43-268)248-12-4-120(193)229-182(248)277)354-374(297,393)312-48-105-87(27-135(331-105)254-18-10-126(199)235-188(254)283)352-372(295,391)322-59-116-96(36-144(342-116)264-73-225-153-167(264)237-178(206)241-174(153)273)361-378(301,397)315-51-108-88(28-136(334-108)255-19-11-127(200)236-189(255)284)353-373(296,392)323-60-117-98(38-146(343-117)266-75-227-155-169(266)239-180(208)243-176(155)275)363-382(305,401)321-58-115-94(34-142(341-115)262-71-223-151-160(204)213-66-218-165(151)262)358-377(300,396)313-49-106-83(23-131(332-106)250-14-6-122(195)231-184(250)279)348-368(291,387)309-45-102-82(22-130(328-102)249-13-5-121(194)230-183(249)278)347-367(290,386)311-47-104-86(26-134(330-104)253-17-9-125(198)234-187(253)282)351-371(294,390)319-56-113-92(32-140(339-113)260-69-221-149-158(202)211-64-216-163(149)260)357-365(288,384)307-44-101-80(269)20-128(327-101)259-68-220-148-157(201)210-63-215-162(148)259/h4-19,40-42,63-76,80-119,128-147,268-269H,20-39,43-62H2,1-3H3,(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)(H,306,402)(H2,193,229,277)(H2,194,230,278)(H2,195,231,279)(H2,196,232,280)(H2,197,233,281)(H2,198,234,282)(H2,199,235,283)(H2,200,236,284)(H2,201,210,215)(H2,202,211,216)(H2,203,212,217)(H2,204,213,218)(H2,205,214,219)(H,245,270,285)(H,246,271,286)(H,247,272,287)(H3,206,237,241,273)(H3,207,238,242,274)(H3,208,239,243,275)(H3,209,240,244,276)

InChIKey

UGGNOWWFOBHBIQ-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-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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-(hydroxymethyl)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 16204716