Isis 6961

Structural Information

Molecular Formula

C₁₉₇H₂₄₉N₇₀O₁₀₄P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)OP(=S)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(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=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=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=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=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(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C197H249N70O104P19S19/c1-75-35-251(190(287)240-167(75)270)130-16-84(103(43-268)333-130)353-373(296,392)315-55-115-95(27-138(345-115)259-66-216-146-155(201)210-63-213-158(146)259)365-384(307,403)318-47-107-87(19-129(337-107)250-14-11-125(200)227-189(250)286)356-376(299,395)328-59-119-99(31-142(349-119)264-71-221-151-163(264)230-183(206)236-177(151)280)368-387(310,406)325-54-114-91(23-134(344-114)255-39-79(5)171(274)244-194(255)291)360-380(303,399)321-50-110-90(22-133(340-110)254-38-78(4)170(273)243-193(254)290)359-379(302,398)320-49-109-88(20-131(339-109)252-36-76(2)168(271)241-191(252)288)357-377(300,396)316-45-105-85(17-127(335-105)248-12-9-123(198)225-187(248)284)354-374(297,393)319-48-108-92(24-135(338-108)256-40-80(6)172(275)245-195(256)292)361-381(304,400)326-56-116-96(28-139(346-116)260-67-217-147-156(202)211-64-214-159(147)260)366-385(308,404)322-51-111-93(25-136(341-111)257-41-81(7)173(276)246-196(257)293)362-382(305,401)330-61-121-100(32-143(351-121)265-72-222-152-164(265)231-184(207)237-178(152)281)369-388(311,407)324-53-113-89(21-132(343-113)253-37-77(3)169(272)242-192(253)289)358-378(301,397)317-46-106-86(18-128(336-106)249-13-10-124(199)226-188(249)285)355-375(298,394)329-60-120-101(33-144(350-120)266-73-223-153-165(266)232-185(208)238-179(153)282)370-389(312,408)327-57-117-97(29-140(347-117)261-68-218-148-157(203)212-65-215-160(148)261)367-386(309,405)323-52-112-94(26-137(342-112)258-42-82(8)174(277)247-197(258)294)363-383(306,402)331-62-122-102(34-145(352-122)267-74-224-154-166(267)233-186(209)239-180(154)283)371-390(313,409)332-58-118-98(30-141(348-118)263-70-220-150-162(263)229-182(205)235-176(150)279)364-372(295,391)314-44-104-83(269)15-126(334-104)262-69-219-149-161(262)228-181(204)234-175(149)278/h9-14,35-42,63-74,83-122,126-145,268-269H,15-34,43-62H2,1-8H3,(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)(H,313,409)(H2,198,225,284)(H2,199,226,285)(H2,200,227,286)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,240,270,287)(H,241,271,288)(H,242,272,289)(H,243,273,290)(H,244,274,291)(H,245,275,292)(H,246,276,293)(H,247,277,294)(H3,204,228,234,278)(H3,205,229,235,279)(H3,206,230,236,280)(H3,207,231,237,281)(H3,208,232,238,282)(H3,209,233,239,283)

InChIKey

JUTLYPNFQTXBLT-UHFFFAOYSA-N

Compound name

1-[4-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-sulfanylphosphoryl]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]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]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-(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]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]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-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204710