Isis 10491

Structural Information

Molecular Formula

C₁₉₄H₂₄₄N₇₉O₉₈P₁₉S₁₉

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(OC1CO)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=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)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=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(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=CC(=NC1=O)N)O)S

InChI

InChI=1S/C194H244N79O98P19S19/c1-74-36-260(192(292)251-169(74)276)129-23-84(105(341-129)47-323-386(309,405)368-93-32-139(270-70-227-150-165(270)240-182(208)247-175(150)282)352-116(93)58-332-390(313,409)371-95-34-141(272-72-229-152-167(272)242-184(210)249-177(152)284)349-113(95)55-329-377(300,396)358-82-21-127(258-14-8-121(199)235-190(258)290)337-101(82)43-318-382(305,401)362-87-26-132(263-63-220-143-154(201)212-59-216-158(143)263)343-107(87)49-324-375(298,394)356-81-20-126(257-13-7-120(198)234-189(257)289)339-103(81)45-320-384(307,403)366-92-31-138(269-69-226-149-164(269)239-181(207)246-174(149)281)350-114(92)56-330-380(303,399)361-86-25-131(262-38-76(3)171(278)253-194(262)294)342-106(86)48-322-385(308,404)367-91-30-137(268-68-225-148-163(268)238-180(206)245-173(148)280)347-111(91)53-315-373(296,392)353-78-17-136(333-97(78)39-274)267-67-224-147-162(267)237-179(205)244-172(147)279)359-378(301,397)316-42-100-80(19-125(336-100)256-12-6-119(197)233-188(256)288)355-374(297,393)321-46-104-85(24-130(340-104)261-37-75(2)170(277)252-193(261)293)360-379(302,398)325-50-108-88(27-133(344-108)264-64-221-144-155(202)213-60-217-159(144)264)363-383(306,402)319-44-102-83(22-128(338-102)259-15-9-122(200)236-191(259)291)357-376(299,395)328-54-112-94(33-140(348-112)271-71-228-151-166(271)241-183(209)248-176(151)283)369-388(311,407)327-52-110-90(29-135(346-110)266-66-223-146-157(204)215-62-219-161(146)266)365-387(310,406)331-57-115-96(35-142(351-115)273-73-230-153-168(273)243-185(211)250-178(153)285)370-389(312,408)326-51-109-89(28-134(345-109)265-65-222-145-156(203)214-61-218-160(145)265)364-381(304,400)317-41-99-79(18-124(335-99)255-11-5-118(196)232-187(255)287)354-372(295,391)314-40-98-77(275)16-123(334-98)254-10-4-117(195)231-186(254)286/h4-15,36-38,59-73,77-116,123-142,274-275H,16-35,39-58H2,1-3H3,(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)(H,313,409)(H2,195,231,286)(H2,196,232,287)(H2,197,233,288)(H2,198,234,289)(H2,199,235,290)(H2,200,236,291)(H2,201,212,216)(H2,202,213,217)(H2,203,214,218)(H2,204,215,219)(H,251,276,292)(H,252,277,293)(H,253,278,294)(H3,205,237,244,279)(H3,206,238,245,280)(H3,207,239,246,281)(H3,208,240,247,282)(H3,209,241,248,283)(H3,210,242,249,284)(H3,211,243,250,285)

InChIKey

DJZYKEYEFPMCAF-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204719