Isis 10970

Structural Information

Molecular Formula

C₁₉₅H₂₄₇N₇₂O₁₀₃P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=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=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(=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=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=C1N=C(NC2=O)N)OP(=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)O)S

InChI

InChI=1S/C195H247N72O103P19S19/c1-74-37-253(190(288)242-165(74)270)131-18-81(100(43-268)332-131)352-372(295,391)314-50-107-87(24-132(339-107)254-38-75(2)166(271)243-191(254)289)360-379(302,398)327-58-115-94(31-139(347-115)262-68-217-148-159(262)229-179(204)236-172(148)277)365-383(306,402)318-48-105-83(20-127(337-105)249-13-8-121(197)224-186(249)284)354-373(296,392)320-51-108-88(25-133(340-108)255-39-76(3)167(272)244-192(255)290)358-378(301,397)316-46-103-84(21-128(335-103)250-14-9-122(198)225-187(250)285)355-374(297,393)325-56-113-93(30-138(345-113)260-66-215-146-155(202)211-64-213-157(146)260)364-385(308,404)321-52-109-90(27-135(341-109)257-41-78(5)169(274)246-194(257)292)361-381(304,400)329-60-117-99(36-144(349-117)267-73-222-153-164(267)234-184(209)241-177(153)282)370-389(312,408)331-62-119-97(34-142(351-119)265-71-220-151-162(265)232-182(207)239-175(151)280)368-387(310,406)323-54-111-91(28-136(343-111)258-42-79(6)170(275)247-195(258)293)362-380(303,399)328-59-116-95(32-140(348-116)263-69-218-149-160(263)230-180(205)237-173(149)278)366-384(307,403)319-49-106-85(22-129(338-106)251-15-10-123(199)226-188(251)286)356-375(298,394)324-55-112-92(29-137(344-112)259-65-214-145-154(201)210-63-212-156(145)259)363-382(305,401)317-47-104-86(23-130(336-104)252-16-11-124(200)227-189(252)287)357-376(299,395)326-57-114-98(35-143(346-114)266-72-221-152-163(266)233-183(208)240-176(152)281)369-388(311,407)330-61-118-96(33-141(350-118)264-70-219-150-161(264)231-181(206)238-174(150)279)367-386(309,405)322-53-110-89(26-134(342-110)256-40-77(4)168(273)245-193(256)291)359-377(300,396)315-45-102-82(19-126(334-102)248-12-7-120(196)223-185(248)283)353-371(294,390)313-44-101-80(269)17-125(333-101)261-67-216-147-158(261)228-178(203)235-171(147)276/h7-16,37-42,63-73,80-119,125-144,268-269H,17-36,43-62H2,1-6H3,(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)(H2,196,223,283)(H2,197,224,284)(H2,198,225,285)(H2,199,226,286)(H2,200,227,287)(H2,201,210,212)(H2,202,211,213)(H,242,270,288)(H,243,271,289)(H,244,272,290)(H,245,273,291)(H,246,274,292)(H,247,275,293)(H3,203,228,235,276)(H3,204,229,236,277)(H3,205,230,237,278)(H3,206,231,238,279)(H3,207,232,239,280)(H3,208,233,240,281)(H3,209,234,241,282)

InChIKey

SHSZPCCRRDBHLJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204733