Isis 6522

Structural Information

Molecular Formula

C₁₉₈H₂₅₂N₆₃O₁₀₉P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)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=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=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=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C198H252N63O109P19S19/c1-75-36-244(188(283)231-163(75)264)131-19-89(354-374(297,393)315-49-108-88(18-130(334-108)243-15-13-127(200)218-187(243)282)353-373(296,392)316-50-109-90(20-132(335-109)245-37-76(2)164(265)232-189(245)284)355-375(298,394)318-52-111-94(24-136(337-111)249-41-80(6)168(269)236-193(249)288)359-379(302,398)323-57-116-98(28-140(342-116)253-45-84(10)172(273)240-197(253)292)363-383(306,402)328-64-123-104(34-146(349-123)260-73-215-153-161(260)223-184(206)229-178(153)279)369-388(311,407)327-61-120-100(30-142(346-120)255-68-210-148-155(201)208-67-209-156(148)255)366-387(310,406)330-63-122-101(31-143(348-122)257-70-212-150-158(257)220-181(203)226-175(150)276)365-371(294,390)313-48-107-86(263)16-128(333-107)256-69-211-149-157(256)219-180(202)225-174(149)275)110(336-131)51-317-376(299,395)356-91-21-133(246-38-77(3)165(266)233-190(246)285)338-112(91)53-319-377(300,396)357-92-22-134(247-39-78(4)166(267)234-191(247)286)339-113(92)54-320-378(301,397)358-93-23-135(248-40-79(5)167(268)235-192(248)287)340-114(93)55-322-382(305,401)362-97-27-139(252-44-83(9)171(272)239-196(252)291)345-119(97)60-326-386(309,405)368-103-33-145(259-72-214-152-160(259)222-183(205)228-177(152)278)351-125(103)66-331-389(312,408)370-105-35-147(261-74-216-154-162(261)224-185(207)230-179(154)280)350-124(105)65-329-384(307,403)364-99-29-141(254-46-85(11)173(274)241-198(254)293)343-117(99)58-324-380(303,399)360-95-25-137(250-42-81(7)169(270)237-194(250)289)341-115(95)56-321-381(304,400)361-96-26-138(251-43-82(8)170(271)238-195(251)290)344-118(96)59-325-385(308,404)367-102-32-144(258-71-213-151-159(258)221-182(204)227-176(151)277)347-121(102)62-314-372(295,391)352-87-17-129(332-106(87)47-262)242-14-12-126(199)217-186(242)281/h12-15,36-46,67-74,86-125,128-147,262-263H,16-35,47-66H2,1-11H3,(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)(H,312,408)(H2,199,217,281)(H2,200,218,282)(H2,201,208,209)(H,231,264,283)(H,232,265,284)(H,233,266,285)(H,234,267,286)(H,235,268,287)(H,236,269,288)(H,237,270,289)(H,238,271,290)(H,239,272,291)(H,240,273,292)(H,241,274,293)(H3,202,219,225,275)(H3,203,220,226,276)(H3,204,221,227,277)(H3,205,222,228,278)(H3,206,223,229,279)(H3,207,224,230,280)

InChIKey

BLLOOAPOWWDJJN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204707