Isis 6556

Structural Information

Molecular Formula

C₁₉₇H₂₄₄N₈₅O₉₅P₁₉S₁₉

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(OC6CO)N7C=NC8=C7N=C(NC8=O)N)N9C=NC1=C9N=C(NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)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(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)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=NC2=C(N=CN=C21)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(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C197H244N85O95P19S19/c1-74-30-266(195(298)260-175(74)285)123-14-81(102(344-123)38-325-385(308,404)366-85-18-127(270-61-230-141-155(202)216-54-223-162(141)270)351-109(85)45-332-393(316,412)374-93-26-136(279-70-239-150-171(279)249-188(211)256-181(150)291)354-112(93)48-334-384(307,403)364-83-16-125(268-32-76(3)177(287)262-197(268)300)343-101(83)37-324-383(306,402)363-82-15-124(267-31-75(2)176(286)261-196(267)299)345-103(82)39-326-386(309,405)372-92-25-135(278-69-238-149-170(278)248-187(210)255-180(149)290)357-115(92)51-337-395(318,414)373-91-24-134(277-68-237-148-169(277)247-186(209)254-179(148)289)353-111(91)47-321-379(302,398)359-78-11-133(339-97(78)33-283)276-67-236-147-168(276)246-185(208)253-178(147)288)362-382(305,401)323-36-100-79(12-121(342-100)264-8-5-118(199)244-193(264)296)360-380(303,399)322-35-99-80(13-122(341-99)265-9-6-119(200)245-194(265)297)361-381(304,400)327-41-105-86(19-128(347-105)271-62-231-142-156(203)217-55-224-163(142)271)367-387(310,406)329-43-107-89(22-131(349-107)274-65-234-145-159(206)220-58-227-166(145)274)370-390(313,409)335-49-113-94(27-137(355-113)280-71-240-151-172(280)250-189(212)257-182(151)292)376-394(317,413)333-46-110-88(21-130(352-110)273-64-233-144-158(205)219-57-226-165(144)273)369-389(312,408)328-42-106-87(20-129(348-106)272-63-232-143-157(204)218-56-225-164(143)272)368-388(311,407)330-44-108-90(23-132(350-108)275-66-235-146-160(207)221-59-228-167(146)275)371-391(314,410)336-50-114-96(29-139(356-114)282-73-242-153-174(282)252-191(214)259-184(153)294)377-396(319,415)338-52-116-95(28-138(358-116)281-72-241-152-173(281)251-190(213)258-183(152)293)375-392(315,411)331-40-104-84(17-126(346-104)269-60-229-140-154(201)215-53-222-161(140)269)365-378(301,397)320-34-98-77(284)10-120(340-98)263-7-4-117(198)243-192(263)295/h4-9,30-32,53-73,77-116,120-139,283-284H,10-29,33-52H2,1-3H3,(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)(H,318,414)(H,319,415)(H2,198,243,295)(H2,199,244,296)(H2,200,245,297)(H2,201,215,222)(H2,202,216,223)(H2,203,217,224)(H2,204,218,225)(H2,205,219,226)(H2,206,220,227)(H2,207,221,228)(H,260,285,298)(H,261,286,299)(H,262,287,300)(H3,208,246,253,288)(H3,209,247,254,289)(H3,210,248,255,290)(H3,211,249,256,291)(H3,212,250,257,292)(H3,213,251,258,293)(H3,214,252,259,294)

InChIKey

QVTWXJTYHJBHCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131596