Isis 6527

Structural Information

Molecular Formula

C₁₉₉H₂₅₁N₆₈O₁₀₈P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=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(OC1COP(=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=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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)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)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C199H251N68O108P19S19/c1-73-33-249(190(289)238-163(73)270)124-13-83(269)104(338-124)44-318-376(299,395)359-86-16-126(250-34-74(2)164(271)239-191(250)290)340-106(86)46-325-388(311,407)372-99-29-140(264-69-217-149-159(264)226-185(206)234-177(149)284)355-121(99)61-335-393(316,412)374-101-31-142(266-71-219-151-161(266)228-187(208)236-179(151)286)353-119(101)59-333-384(307,403)365-92-22-132(256-40-80(8)170(277)245-197(256)296)343-109(92)49-323-379(302,398)360-87-17-127(251-35-75(3)165(272)240-192(251)291)341-107(87)47-321-380(303,399)361-89-19-129(253-37-77(5)167(274)242-194(253)293)346-112(89)52-327-390(313,409)370-97-27-138(262-67-215-147-157(262)224-183(204)232-175(147)282)351-117(97)57-331-378(301,397)358-85-15-125(248-12-11-123(200)221-189(248)288)339-105(85)45-320-387(310,406)368-95-25-135(259-64-212-144-153(201)210-63-211-154(144)259)349-115(95)55-330-383(306,402)364-91-21-131(255-39-79(7)169(276)244-196(255)295)342-108(91)48-322-381(304,400)363-90-20-130(254-38-78(6)168(275)243-195(254)294)347-113(90)53-328-391(314,410)371-98-28-139(263-68-216-148-158(263)225-184(205)233-176(148)283)352-118(98)58-332-386(309,405)367-94-24-134(258-42-82(10)172(279)247-199(258)298)348-114(94)54-329-392(315,411)373-100-30-141(265-70-218-150-160(265)227-186(207)235-178(150)285)356-122(100)62-336-394(317,413)375-102-32-143(267-72-220-152-162(267)229-188(209)237-180(152)287)354-120(102)60-334-385(308,404)366-93-23-133(257-41-81(9)171(278)246-198(257)297)344-110(93)50-324-382(305,401)362-88-18-128(252-36-76(4)166(273)241-193(252)292)345-111(88)51-326-389(312,408)369-96-26-137(261-66-214-146-156(261)223-182(203)231-174(146)281)350-116(96)56-319-377(300,396)357-84-14-136(337-103(84)43-268)260-65-213-145-155(260)222-181(202)230-173(145)280/h11-12,33-42,63-72,83-122,124-143,268-269H,13-32,43-62H2,1-10H3,(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)(H,314,410)(H,315,411)(H,316,412)(H,317,413)(H2,200,221,288)(H2,201,210,211)(H,238,270,289)(H,239,271,290)(H,240,272,291)(H,241,273,292)(H,242,274,293)(H,243,275,294)(H,244,276,295)(H,245,277,296)(H,246,278,297)(H,247,279,298)(H3,202,222,230,280)(H3,203,223,231,281)(H3,204,224,232,282)(H3,205,225,233,283)(H3,206,226,234,284)(H3,207,227,235,285)(H3,208,228,236,286)(H3,209,229,237,287)

InChIKey

OQZYUKMNJSHVTP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204708