Isis 10490

Structural Information

Molecular Formula

C₁₉₆H₂₄₅N₈₀O₉₈P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C(N=CN=C54)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)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=CC(=NC1=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=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)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=C(C(=O)NC1=O)C)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=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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O)S

InChI

InChI=1S/C196H245N80O98P19S19/c1-74-33-261(193(294)253-171(74)279)127-19-84(104(342-127)43-318-376(299,395)356-79-14-131(336-98(79)37-277)266-63-224-143-155(202)214-58-219-160(143)266)362-383(306,402)331-54-115-97(32-141(353-115)276-73-234-153-170(276)245-188(212)252-181(153)289)374-393(316,412)335-56-117-94(29-138(355-117)273-70-231-150-167(273)242-185(209)249-178(150)286)371-389(312,408)325-46-107-87(22-130(345-107)264-36-77(4)174(282)256-196(264)297)364-384(307,403)332-53-114-92(27-136(352-114)271-68-229-148-165(271)240-183(207)247-176(148)284)369-387(310,406)322-42-103-81(16-124(341-103)258-10-6-119(198)236-190(258)291)358-378(301,397)326-47-108-88(23-132(346-108)267-64-225-144-156(203)215-59-220-161(144)267)366-385(308,404)320-40-101-82(17-125(339-101)259-11-7-120(199)237-191(259)292)360-380(303,399)330-52-113-96(31-140(351-113)275-72-233-152-169(275)244-187(211)251-180(152)288)373-392(315,411)334-55-116-93(28-137(354-116)272-69-230-149-166(272)241-184(208)248-177(149)285)370-388(311,407)324-45-106-85(20-128(344-106)262-34-75(2)172(280)254-194(262)295)361-381(304,400)319-39-100-80(15-123(338-100)257-9-5-118(197)235-189(257)290)357-377(300,396)323-44-105-86(21-129(343-105)263-35-76(3)173(281)255-195(263)296)363-382(305,401)327-48-109-89(24-133(347-109)268-65-226-145-157(204)216-60-221-162(145)268)367-386(309,405)321-41-102-83(18-126(340-102)260-12-8-121(200)238-192(260)293)359-379(302,398)329-51-112-95(30-139(350-112)274-71-232-151-168(274)243-186(210)250-179(151)287)372-391(314,410)328-49-110-90(25-134(348-110)269-66-227-146-158(205)217-61-222-163(146)269)368-390(313,409)333-50-111-91(26-135(349-111)270-67-228-147-164(270)239-182(206)246-175(147)283)365-375(298,394)317-38-99-78(278)13-122(337-99)265-62-223-142-154(201)213-57-218-159(142)265/h5-12,33-36,57-73,78-117,122-141,277-278H,13-32,37-56H2,1-4H3,(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)(H,315,411)(H,316,412)(H2,197,235,290)(H2,198,236,291)(H2,199,237,292)(H2,200,238,293)(H2,201,213,218)(H2,202,214,219)(H2,203,215,220)(H2,204,216,221)(H2,205,217,222)(H,253,279,294)(H,254,280,295)(H,255,281,296)(H,256,282,297)(H3,206,239,246,283)(H3,207,240,247,284)(H3,208,241,248,285)(H3,209,242,249,286)(H3,210,243,250,287)(H3,211,244,251,288)(H3,212,245,252,289)

InChIKey

DGCUXACTPFQRQC-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131620