Isis 10487

Structural Information

Molecular Formula

C₁₉₅H₂₄₇N₇₂O₁₀₂P₁₉S₁₉

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=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=S)(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=NC2=C1N=C(NC2=O)N)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=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)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C195H247N72O102P19S19/c1-75-37-253(190(287)242-167(75)270)132-24-88(108(338-132)50-313-371(294,390)351-82-18-138(331-101(82)43-268)259-66-216-146-155(201)210-63-213-158(146)259)359-378(301,397)320-52-110-90(26-134(340-110)255-39-77(3)169(272)244-192(255)289)358-377(300,396)315-47-105-86(22-130(335-105)251-15-10-124(199)228-188(251)285)356-375(298,394)326-58-116-98(34-143(346-116)265-72-222-152-164(265)233-182(207)239-176(152)279)367-386(309,405)322-54-112-92(28-136(342-112)257-41-79(5)171(274)246-194(257)291)361-379(302,398)327-59-117-96(32-141(347-117)263-70-220-150-162(263)231-180(205)237-174(150)277)365-383(306,402)317-48-106-84(20-128(336-106)249-13-8-122(197)226-186(249)283)353-372(295,391)319-51-109-89(25-133(339-109)254-38-76(2)168(271)243-191(254)288)357-376(299,395)314-46-104-85(21-129(334-104)250-14-9-123(198)227-187(250)284)354-373(296,392)325-57-115-95(31-140(345-115)261-68-218-148-157(203)212-65-215-160(148)261)364-385(308,404)321-53-111-91(27-135(341-111)256-40-78(4)170(273)245-193(256)290)360-381(304,400)329-61-119-100(36-145(349-119)267-74-224-154-166(267)235-184(209)241-178(154)281)369-388(311,407)330-62-120-99(35-144(350-120)266-73-223-153-165(266)234-183(208)240-177(153)280)368-387(310,406)323-55-113-93(29-137(343-113)258-42-80(6)172(275)247-195(258)292)362-380(303,399)328-60-118-97(33-142(348-118)264-71-221-151-163(264)232-181(206)238-175(151)278)366-384(307,403)318-49-107-87(23-131(337-107)252-16-11-125(200)229-189(252)286)355-374(297,393)324-56-114-94(30-139(344-114)260-67-217-147-156(202)211-64-214-159(147)260)363-382(305,401)316-45-103-83(19-127(333-103)248-12-7-121(196)225-185(248)282)352-370(293,389)312-44-102-81(269)17-126(332-102)262-69-219-149-161(262)230-179(204)236-173(149)276/h7-16,37-42,63-74,81-120,126-145,268-269H,17-36,43-62H2,1-6H3,(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)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H2,196,225,282)(H2,197,226,283)(H2,198,227,284)(H2,199,228,285)(H2,200,229,286)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,242,270,287)(H,243,271,288)(H,244,272,289)(H,245,273,290)(H,246,274,291)(H,247,275,292)(H3,204,230,236,276)(H3,205,231,237,277)(H3,206,232,238,278)(H3,207,233,239,279)(H3,208,234,240,280)(H3,209,235,241,281)

InChIKey

KDIZDIMUPTZHHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131624