Isis 8167

Structural Information

Molecular Formula

C₁₉₅H₂₄₅N₇₈O₉₉P₁₉S₁₉

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(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=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=CC(=NC1=O)N)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=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=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)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C195H245N78O99P19S19/c1-74-35-259(192(292)250-169(74)276)128-21-84(359-373(296,392)315-40-99-78(275)15-123(335-99)254-10-5-118(196)231-187(254)287)104(340-128)45-323-384(307,403)364-89-26-133(264-64-221-144-155(202)213-60-217-159(144)264)345-109(89)50-325-387(310,406)368-95-32-140(271-71-228-151-166(271)240-184(209)247-177(151)284)351-115(95)56-331-386(309,405)366-91-28-135(266-66-223-146-157(204)215-62-219-161(146)266)347-111(91)52-327-389(312,408)370-97-34-142(273-73-230-153-168(273)242-186(211)249-179(153)286)353-117(97)58-333-390(313,409)371-93-30-138(269-69-226-149-164(269)238-182(207)245-175(149)282)349-113(93)54-329-380(303,399)361-86-23-130(261-37-76(3)171(278)252-194(261)294)342-106(86)47-321-377(300,396)357-82-19-126(257-13-8-121(199)234-190(257)290)339-103(82)44-319-383(306,402)367-92-29-137(268-68-225-148-163(268)237-181(206)244-174(148)281)348-112(92)53-328-378(301,397)358-83-20-127(258-14-9-122(200)235-191(258)291)337-101(83)42-317-375(298,394)355-81-18-125(256-12-7-120(198)233-189(256)289)338-102(81)43-318-382(305,401)363-88-25-132(263-63-220-143-154(201)212-59-216-158(143)263)344-108(88)49-324-385(308,404)365-90-27-134(265-65-222-145-156(203)214-61-218-160(145)265)346-110(90)51-326-388(311,407)369-96-33-141(272-72-229-152-167(272)241-185(210)248-178(152)285)352-116(96)57-332-391(314,410)372-94-31-139(270-70-227-150-165(270)239-183(208)246-176(150)283)350-114(94)55-330-381(304,400)362-87-24-131(262-38-77(4)172(279)253-195(262)295)343-107(87)48-322-379(302,398)360-85-22-129(260-36-75(2)170(277)251-193(260)293)341-105(85)46-320-376(299,395)356-80-17-124(255-11-6-119(197)232-188(255)288)336-100(80)41-316-374(297,393)354-79-16-136(334-98(79)39-274)267-67-224-147-162(267)236-180(205)243-173(147)280/h5-14,35-38,59-73,78-117,123-142,274-275H,15-34,39-58H2,1-4H3,(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)(H,314,410)(H2,196,231,287)(H2,197,232,288)(H2,198,233,289)(H2,199,234,290)(H2,200,235,291)(H2,201,212,216)(H2,202,213,217)(H2,203,214,218)(H2,204,215,219)(H,250,276,292)(H,251,277,293)(H,252,278,294)(H,253,279,295)(H3,205,236,243,280)(H3,206,237,244,281)(H3,207,238,245,282)(H3,208,239,246,283)(H3,209,240,247,284)(H3,210,241,248,285)(H3,211,242,249,286)

InChIKey

BEQLVBDTHFEREU-UHFFFAOYSA-N

Compound name

1-[5-[[[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-[[[2-[[[2-[[[2-[[[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-(hydroxymethyl)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-(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-(6-aminopurin-9-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-(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-(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-(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]-4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204711