Isis 6494

Structural Information

Molecular Formula

C₁₉₂H₂₄₅N₇₂O₉₉P₁₉S₁₉

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(=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=CC(=NC1=O)N)N1C=CC(=NC1=O)N)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=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C192H245N72O99P19S19/c1-77-41-253(189(283)241-169(77)267)129-21-81(266)102(326-129)46-306-364(287,383)356-93-33-141(257-69-217-149-157(201)209-65-213-161(149)257)337-113(93)57-319-375(298,394)355-92-32-140(256-44-80(4)172(270)244-192(256)286)334-110(92)54-314-368(291,387)348-86-26-134(249-17-9-125(197)229-185(249)279)332-108(86)52-312-376(299,395)357-94-34-142(258-70-218-150-158(202)210-66-214-162(150)258)338-114(94)58-317-369(292,388)350-87-27-135(250-18-10-126(198)230-186(250)280)328-104(87)48-308-367(290,386)347-85-25-133(248-16-8-124(196)228-184(248)278)331-107(85)51-311-377(300,396)358-95-35-143(259-71-219-151-159(203)211-67-215-163(151)259)340-116(95)60-320-381(304,400)362-100-40-148(264-76-224-156-168(264)236-180(208)240-176(156)274)343-119(100)63-323-380(303,399)359-96-36-144(260-72-220-152-160(204)212-68-216-164(152)260)339-115(96)59-318-370(293,389)351-89-29-137(252-20-12-128(200)232-188(252)282)333-109(89)53-313-378(301,397)360-97-37-145(261-73-221-153-165(261)233-177(205)237-173(153)271)341-117(97)61-322-372(295,391)352-88-28-136(251-19-11-127(199)231-187(251)281)329-105(88)49-309-366(289,385)346-84-24-132(247-15-7-123(195)227-183(247)277)330-106(84)50-310-373(296,392)353-90-30-138(254-42-78(2)170(268)242-190(254)284)335-111(90)55-315-374(297,393)354-91-31-139(255-43-79(3)171(269)243-191(255)285)336-112(91)56-316-379(302,398)361-98-38-146(262-74-222-154-166(262)234-178(206)238-174(154)272)344-120(98)64-324-382(305,401)363-99-39-147(263-75-223-155-167(263)235-179(207)239-175(155)273)342-118(99)62-321-371(294,390)349-83-23-131(246-14-6-122(194)226-182(246)276)327-103(83)47-307-365(288,384)345-82-22-130(325-101(82)45-265)245-13-5-121(193)225-181(245)275/h5-20,41-44,65-76,81-120,129-148,265-266H,21-40,45-64H2,1-4H3,(H,287,383)(H,288,384)(H,289,385)(H,290,386)(H,291,387)(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)(H2,193,225,275)(H2,194,226,276)(H2,195,227,277)(H2,196,228,278)(H2,197,229,279)(H2,198,230,280)(H2,199,231,281)(H2,200,232,282)(H2,201,209,213)(H2,202,210,214)(H2,203,211,215)(H2,204,212,216)(H,241,267,283)(H,242,268,284)(H,243,269,285)(H,244,270,286)(H3,205,233,237,271)(H3,206,234,238,272)(H3,207,235,239,273)(H3,208,236,240,274)

InChIKey

GOSUIQWVDXRNHF-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204700