Isis 9690

Structural Information

Molecular Formula

C₁₉₄H₂₄₆N₇₃O₁₀₁P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=NC6=C5N=C(NC6=O)N)N7C=CC(=NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=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(=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)O)S

InChI

InChI=1S/C194H246N73O101P19S19/c1-75-38-254(190(287)243-167(75)270)132-25-87(107(337-132)50-317-371(294,390)351-82-20-127(249-13-7-121(196)226-185(249)282)332-102(82)45-312-370(293,389)350-81-19-140(330-100(81)43-268)262-69-219-149-161(262)231-178(204)237-172(149)275)356-376(299,395)314-47-104-84(22-129(334-104)251-15-9-123(198)228-187(251)284)353-373(296,392)323-57-114-94(32-139(344-114)261-68-218-148-157(203)212-65-215-160(148)261)363-383(306,402)319-52-109-90(28-135(339-109)257-41-78(4)170(273)246-193(257)290)359-380(303,399)327-60-117-99(37-145(347-117)267-74-224-154-166(267)236-183(209)242-177(154)280)368-387(310,406)329-62-119-97(35-143(349-119)265-72-222-152-164(265)234-181(207)240-175(152)278)366-385(308,404)321-54-111-91(29-136(341-111)258-42-79(5)171(274)247-194(258)291)360-379(302,398)326-59-116-95(33-141(346-116)263-70-220-150-162(263)232-179(205)238-173(150)276)364-382(305,401)316-49-106-85(23-130(336-106)252-16-10-124(199)229-188(252)285)354-374(297,393)322-56-113-93(31-138(343-113)260-67-217-147-156(202)211-64-214-159(147)260)362-381(304,400)315-48-105-86(24-131(335-105)253-17-11-125(200)230-189(253)286)355-375(298,394)325-58-115-98(36-144(345-115)266-73-223-153-165(266)235-182(208)241-176(153)279)367-386(309,405)328-61-118-96(34-142(348-118)264-71-221-151-163(264)233-180(206)239-174(151)277)365-384(307,403)320-53-110-88(26-133(340-110)255-39-76(2)168(271)244-191(255)288)357-377(300,396)313-46-103-83(21-128(333-103)250-14-8-122(197)227-186(250)283)352-372(295,391)318-51-108-89(27-134(338-108)256-40-77(3)169(272)245-192(256)289)358-378(301,397)324-55-112-92(30-137(342-112)259-66-216-146-155(201)210-63-213-158(146)259)361-369(292,388)311-44-101-80(269)18-126(331-101)248-12-6-120(195)225-184(248)281/h6-17,38-42,63-74,80-119,126-145,268-269H,18-37,43-62H2,1-5H3,(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)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H2,195,225,281)(H2,196,226,282)(H2,197,227,283)(H2,198,228,284)(H2,199,229,285)(H2,200,230,286)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,243,270,287)(H,244,271,288)(H,245,272,289)(H,246,273,290)(H,247,274,291)(H3,204,231,237,275)(H3,205,232,238,276)(H3,206,233,239,277)(H3,207,234,240,278)(H3,208,235,241,279)(H3,209,236,242,280)

InChIKey

BDWLAAVJZLHJMJ-UHFFFAOYSA-N

Compound name

1-[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-[[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-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-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]oxyoxolan-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-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-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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 16131622