Isis 6509

Structural Information

Molecular Formula

C₁₉₃H₂₄₅N₇₄O₁₀₀P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=NC6=C(N=CN=C65)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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=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=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=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=CC(=NC1=O)N)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=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C193H245N74O100P19S19/c1-75-39-255(190(287)244-167(75)270)134-28-88(108(338-134)52-318-370(293,389)351-82-22-128(249-13-6-120(195)226-184(249)281)331-101(82)45-311-369(292,388)349-80-20-138(329-99(80)43-268)259-66-216-146-155(201)210-63-213-158(146)259)357-376(299,395)313-49-105-86(26-132(335-105)253-17-10-124(199)230-188(253)285)356-375(298,394)325-59-115-98(38-145(345-115)267-74-224-154-166(267)237-182(209)243-176(154)279)367-386(309,405)328-62-118-96(36-143(348-118)265-72-222-152-164(265)235-180(207)241-174(152)277)365-381(304,400)316-50-106-84(24-130(336-106)251-15-8-122(197)228-186(251)283)353-372(295,391)320-54-110-91(31-137(340-110)258-42-78(4)170(273)247-193(258)290)360-379(302,398)323-57-113-93(33-140(343-113)261-68-218-148-157(203)212-65-215-160(148)261)362-385(308,404)326-60-116-95(35-142(346-116)264-71-221-151-163(264)234-179(206)240-173(151)276)364-382(305,401)317-51-107-87(27-133(337-107)254-18-11-125(200)231-189(254)286)354-373(296,392)322-56-112-92(32-139(342-112)260-67-217-147-156(202)211-64-214-159(147)260)361-384(307,403)327-61-117-97(37-144(347-117)266-73-223-153-165(266)236-181(208)242-175(153)278)366-383(306,402)321-55-111-90(30-136(341-111)257-41-77(3)169(272)246-192(257)289)359-378(301,397)312-47-103-83(23-129(333-103)250-14-7-121(196)227-185(250)282)352-371(294,390)319-53-109-89(29-135(339-109)256-40-76(2)168(271)245-191(256)288)358-377(300,396)314-48-104-85(25-131(334-104)252-16-9-123(198)229-187(252)284)355-374(297,393)324-58-114-94(34-141(344-114)263-70-220-150-162(263)233-178(205)239-172(150)275)363-380(303,399)315-46-102-81(21-127(332-102)248-12-5-119(194)225-183(248)280)350-368(291,387)310-44-100-79(269)19-126(330-100)262-69-219-149-161(262)232-177(204)238-171(149)274/h5-18,39-42,63-74,79-118,126-145,268-269H,19-38,43-62H2,1-4H3,(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)(H,309,405)(H2,194,225,280)(H2,195,226,281)(H2,196,227,282)(H2,197,228,283)(H2,198,229,284)(H2,199,230,285)(H2,200,231,286)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,244,270,287)(H,245,271,288)(H,246,272,289)(H,247,273,290)(H3,204,232,238,274)(H3,205,233,239,275)(H3,206,234,240,276)(H3,207,235,241,277)(H3,208,236,242,278)(H3,209,237,243,279)

InChIKey

PTIQADSNTITMLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204703