Isis 10486

Structural Information

Molecular Formula

C₁₉₆H₂₄₇N₇₄O₁₀₂P₁₉S₁₉

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

InChI

InChI=1S/C196H247N74O102P19S19/c1-74-35-255(191(290)245-167(74)273)129-21-86(359-378(301,397)317-44-103-84(19-127(337-103)253-13-9-122(199)229-189(253)288)357-376(299,395)327-53-112-92(27-135(346-112)262-65-218-145-155(202)212-62-215-158(145)262)365-386(309,405)324-50-109-89(24-132(343-109)258-38-77(4)170(276)248-194(258)293)362-383(306,402)332-59-118-99(34-143(352-118)270-73-226-153-166(270)237-186(210)244-179(153)285)372-391(314,410)333-60-119-98(33-142(353-119)269-72-225-152-165(269)236-185(209)243-178(152)284)370-389(312,408)326-52-111-91(26-134(345-111)260-40-79(6)172(278)250-196(260)295)364-381(304,400)330-57-116-95(30-139(350-116)266-69-222-149-162(266)233-182(206)240-175(149)281)367-384(307,403)319-43-102-82(17-125(336-102)251-11-7-120(197)227-187(251)286)355-373(296,392)315-42-101-80(272)15-124(335-101)261-64-217-144-154(201)211-61-214-157(144)261)106(340-129)47-321-375(298,394)356-83-18-126(252-12-8-121(198)228-188(252)287)339-105(83)46-320-385(308,404)368-96-31-140(267-70-223-150-163(267)234-183(207)241-176(150)282)351-117(96)58-331-382(305,401)363-90-25-133(259-39-78(5)171(277)249-195(259)294)344-110(90)51-325-388(311,407)369-97-32-141(268-71-224-151-164(268)235-184(208)242-177(151)283)349-115(97)56-329-377(300,396)358-85-20-128(254-14-10-123(200)230-190(254)289)338-104(85)45-318-379(302,398)360-87-22-130(256-36-75(2)168(274)246-192(256)291)341-107(87)48-322-380(303,399)361-88-23-131(257-37-76(3)169(275)247-193(257)292)342-108(88)49-323-387(310,406)366-93-28-136(263-66-219-146-156(203)213-63-216-159(146)263)347-113(93)54-328-390(313,409)371-94-29-138(265-68-221-148-161(265)232-181(205)239-174(148)280)348-114(94)55-316-374(297,393)354-81-16-137(334-100(81)41-271)264-67-220-147-160(264)231-180(204)238-173(147)279/h7-14,35-40,61-73,80-119,124-143,271-272H,15-34,41-60H2,1-6H3,(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)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H,314,410)(H2,197,227,286)(H2,198,228,287)(H2,199,229,288)(H2,200,230,289)(H2,201,211,214)(H2,202,212,215)(H2,203,213,216)(H,245,273,290)(H,246,274,291)(H,247,275,292)(H,248,276,293)(H,249,277,294)(H,250,278,295)(H3,204,231,238,279)(H3,205,232,239,280)(H3,206,233,240,281)(H3,207,234,241,282)(H3,208,235,242,283)(H3,209,236,243,284)(H3,210,237,244,285)

InChIKey

QYEJEYNLWYGLQC-UHFFFAOYSA-N

Compound name

1-[5-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-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-(5-methyl-2,4-dioxopyrimidin-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]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]-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-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 16204721