Isis 6512

Structural Information

Molecular Formula

C₁₉₃H₂₄₅N₇₄O₉₉P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)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=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(=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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C193H245N74O99P19S19/c1-76-39-255(190(286)244-169(76)270)134-20-81(100(43-268)328-134)348-368(291,387)310-58-115-95(34-142(343-115)263-71-222-151-164(263)234-178(205)239-173(151)274)362-380(303,399)316-50-107-85(24-131(335-107)252-16-9-124(198)231-187(252)283)352-372(295,391)320-54-111-91(30-138(339-111)259-67-218-147-156(201)210-63-214-160(147)259)358-377(300,396)314-48-105-86(25-132(333-105)253-17-10-125(199)232-188(253)284)354-374(297,393)325-60-117-98(37-145(345-117)266-74-225-154-167(266)237-181(208)242-176(154)277)366-385(308,404)327-62-119-96(35-143(347-119)264-72-223-152-165(264)235-179(206)240-174(152)275)363-381(304,400)319-53-110-89(28-136(338-110)257-41-78(3)171(272)246-192(257)288)356-375(298,394)312-46-103-84(23-130(331-103)251-15-8-123(197)230-186(251)282)351-371(294,390)318-52-109-90(29-137(337-109)258-42-79(4)172(273)247-193(258)289)357-376(299,395)321-55-112-92(31-139(340-112)260-68-219-148-157(202)211-64-215-161(148)260)359-378(301,397)315-49-106-87(26-133(334-106)254-18-11-126(200)233-189(254)285)353-373(296,392)324-59-116-97(36-144(344-116)265-73-224-153-166(265)236-180(207)241-175(153)276)364-383(306,402)323-57-114-94(33-141(342-114)262-70-221-150-159(204)213-66-217-163(150)262)361-382(305,401)326-61-118-99(38-146(346-118)267-75-226-155-168(267)238-182(209)243-177(155)278)365-384(307,403)322-56-113-93(32-140(341-113)261-69-220-149-158(203)212-65-216-162(149)261)360-379(302,398)313-47-104-82(21-128(332-104)249-13-6-121(195)228-184(249)280)349-369(292,388)311-45-102-83(22-129(330-102)250-14-7-122(196)229-185(250)281)350-370(293,389)317-51-108-88(27-135(336-108)256-40-77(2)170(271)245-191(256)287)355-367(290,386)309-44-101-80(269)19-127(329-101)248-12-5-120(194)227-183(248)279/h5-18,39-42,63-75,80-119,127-146,268-269H,19-38,43-62H2,1-4H3,(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)(H,307,403)(H,308,404)(H2,194,227,279)(H2,195,228,280)(H2,196,229,281)(H2,197,230,282)(H2,198,231,283)(H2,199,232,284)(H2,200,233,285)(H2,201,210,214)(H2,202,211,215)(H2,203,212,216)(H2,204,213,217)(H,244,270,286)(H,245,271,287)(H,246,272,288)(H,247,273,289)(H3,205,234,239,274)(H3,206,235,240,275)(H3,207,236,241,276)(H3,208,237,242,277)(H3,209,238,243,278)

InChIKey

QUACPESWUOQFNG-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131603