Isis 6546

Structural Information

Molecular Formula

C₁₉₂H₂₄₃N₇₈O₉₇P₁₉S₁₉

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

InChI

InChI=1S/C192H243N78O97P19S19/c1-75-39-259(191(289)249-169(75)273)125-19-77(272)98(330-125)42-310-368(291,387)350-79-21-126(251-11-3-117(193)229-183(251)281)332-100(79)44-316-378(301,397)359-88-30-136(262-66-220-146-156(202)212-62-216-160(146)262)340-108(88)52-320-374(297,393)356-86-28-133(258-18-10-124(200)236-190(258)288)338-106(86)50-318-380(303,399)362-91-33-139(265-69-223-149-163(265)237-177(205)243-171(149)275)346-114(91)58-326-385(308,404)366-95-37-143(269-73-227-153-167(269)241-181(209)247-175(153)279)348-116(95)60-328-386(309,405)367-96-38-144(270-74-228-154-168(270)242-182(210)248-176(154)280)347-115(96)59-327-384(307,403)365-93-35-141(267-71-225-151-165(267)239-179(207)245-173(151)277)344-112(93)56-324-376(299,395)357-85-27-132(257-17-9-123(199)235-189(257)287)335-103(85)47-314-370(293,389)351-81-23-128(253-13-5-119(195)231-185(253)283)333-101(81)45-312-371(294,390)352-82-24-129(254-14-6-120(196)232-186(254)284)336-104(82)48-315-377(300,396)358-87-29-134(260-40-76(2)170(274)250-192(260)290)339-107(87)51-319-373(296,392)354-84-26-131(256-16-8-122(198)234-188(256)286)334-102(84)46-313-372(295,391)353-83-25-130(255-15-7-121(197)233-187(255)285)337-105(83)49-317-379(302,398)360-89-31-137(263-67-221-147-157(203)213-63-217-161(147)263)341-109(89)53-321-383(306,402)364-94-36-142(268-72-226-152-166(268)240-180(208)246-174(152)278)345-113(94)57-325-381(304,400)361-90-32-138(264-68-222-148-158(204)214-64-218-162(148)264)342-110(90)54-322-382(305,401)363-92-34-140(266-70-224-150-164(266)238-178(206)244-172(150)276)343-111(92)55-323-375(298,394)355-80-22-127(252-12-4-118(194)230-184(252)282)331-99(80)43-311-369(292,388)349-78-20-135(329-97(78)41-271)261-65-219-145-155(201)211-61-215-159(145)261/h3-18,39-40,61-74,77-116,125-144,271-272H,19-38,41-60H2,1-2H3,(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)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H2,193,229,281)(H2,194,230,282)(H2,195,231,283)(H2,196,232,284)(H2,197,233,285)(H2,198,234,286)(H2,199,235,287)(H2,200,236,288)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,249,273,289)(H,250,274,290)(H3,205,237,243,275)(H3,206,238,244,276)(H3,207,239,245,277)(H3,208,240,246,278)(H3,209,241,247,279)(H3,210,242,248,280)

InChIKey

LKLJAVTYHNYQKK-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131602