Isis 6510

Structural Information

Molecular Formula

C₁₉₄H₂₄₄N₇₉O₉₅P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C(N=CN=C76)N)OP(=S)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=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=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=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=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=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=C(N=CN=C21)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)O)S

InChI

InChI=1S/C194H244N79O95P19S19/c1-77-36-260(192(289)251-175(77)276)133-23-87(107(337-133)46-312-370(293,389)350-81-17-127(330-100(81)39-274)254-10-4-120(195)237-186(254)283)357-377(300,396)324-55-116-93(29-139(346-116)266-69-229-149-160(204)215-62-222-167(149)266)362-382(305,401)318-47-108-88(24-134(338-108)261-37-78(2)176(277)252-193(261)290)356-376(299,395)314-42-103-84(20-130(333-103)257-13-7-123(198)240-189(257)286)353-373(296,392)322-52-113-96(32-142(343-113)269-72-232-152-163(207)218-65-225-170(152)269)365-386(309,405)328-57-118-99(35-145(348-118)273-76-236-156-174(273)246-185(211)250-181(156)282)368-387(310,406)329-58-119-97(33-143(349-119)271-74-234-154-172(271)244-183(209)248-179(154)280)366-381(304,400)317-45-106-86(22-132(336-106)259-15-9-125(200)242-191(259)288)355-375(298,394)323-53-114-95(31-141(344-114)268-71-231-151-162(206)217-64-224-169(151)268)364-385(308,404)327-56-117-98(34-144(347-117)272-75-235-155-173(272)245-184(210)249-180(155)281)367-383(306,402)319-48-109-89(25-135(339-109)262-38-79(3)177(278)253-194(262)291)358-378(301,397)325-54-115-92(28-138(345-115)265-68-228-148-159(203)214-61-221-166(148)265)361-380(303,399)315-43-104-82(18-128(334-104)255-11-5-121(196)238-187(255)284)351-371(294,390)313-41-102-83(19-129(332-102)256-12-6-122(197)239-188(256)285)352-372(295,391)320-50-111-91(27-137(341-111)264-67-227-147-158(202)213-60-220-165(147)264)360-379(302,398)316-44-105-85(21-131(335-105)258-14-8-124(199)241-190(258)287)354-374(297,393)321-51-112-94(30-140(342-112)267-70-230-150-161(205)216-63-223-168(150)267)363-384(307,403)326-49-110-90(26-136(340-110)263-66-226-146-157(201)212-59-219-164(146)263)359-369(292,388)311-40-101-80(275)16-126(331-101)270-73-233-153-171(270)243-182(208)247-178(153)279/h4-15,36-38,59-76,80-119,126-145,274-275H,16-35,39-58H2,1-3H3,(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)(H2,195,237,283)(H2,196,238,284)(H2,197,239,285)(H2,198,240,286)(H2,199,241,287)(H2,200,242,288)(H2,201,212,219)(H2,202,213,220)(H2,203,214,221)(H2,204,215,222)(H2,205,216,223)(H2,206,217,224)(H2,207,218,225)(H,251,276,289)(H,252,277,290)(H,253,278,291)(H3,208,243,247,279)(H3,209,244,248,280)(H3,210,245,249,281)(H3,211,246,250,282)

InChIKey

XJVRNLONUHXXHB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131600