Isis 6097

Structural Information

Molecular Formula

C₁₉₅H₂₄₃N₈₄O₁₀₀P₁₉S₁₉

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(OC7CO)N8C=NC9=C8N=C(NC9=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)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=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=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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=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=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=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C195H243N84O100P19S19/c1-69-33-265(194(301)258-163(69)282)122-20-78(98(348-122)42-329-384(307,403)364-75-17-119(262-10-5-113(198)231-191(262)298)346-96(75)40-327-388(311,407)368-79-21-123(266-34-70(2)164(283)259-195(266)302)349-99(79)43-330-385(308,404)365-76-18-120(263-11-6-114(199)232-192(263)299)347-97(76)41-328-389(312,408)371-82-24-127(271-60-220-140-154(271)237-180(205)249-168(140)287)351-101(82)45-323-381(304,400)361-72-14-125(341-91(72)35-280)269-58-218-138-152(269)235-178(203)247-166(138)285)367-387(310,406)326-39-95-74(16-118(345-95)261-9-4-112(197)230-190(261)297)363-383(306,402)324-37-93-73(15-117(343-93)260-8-3-111(196)229-189(260)296)362-382(305,401)325-38-94-77(19-121(344-94)264-12-7-115(200)233-193(264)300)366-386(309,405)332-47-103-83(25-128(353-103)272-61-221-141-155(272)238-181(206)250-169(141)288)373-393(316,412)336-51-107-87(29-132(357-107)276-65-225-145-159(276)242-185(210)254-173(145)292)376-395(318,414)335-49-105-84(26-129(355-105)273-62-222-142-156(273)239-182(207)251-170(142)289)372-391(314,410)331-44-100-80(22-124(350-100)267-56-216-136-149(201)214-55-215-150(136)267)370-390(313,409)333-48-104-85(27-130(354-104)274-63-223-143-157(274)240-183(208)252-171(143)290)375-394(317,413)337-52-108-88(30-133(358-108)277-66-226-146-160(277)243-186(211)255-174(146)293)378-397(320,416)339-54-110-90(32-135(360-110)279-68-228-148-162(279)245-188(213)257-176(148)295)379-398(321,417)340-53-109-89(31-134(359-109)278-67-227-147-161(278)244-187(212)256-175(147)294)377-396(319,415)338-50-106-86(28-131(356-106)275-64-224-144-158(275)241-184(209)253-172(144)291)374-392(315,411)334-46-102-81(23-126(352-102)270-59-219-139-153(270)236-179(204)248-167(139)286)369-380(303,399)322-36-92-71(281)13-116(342-92)268-57-217-137-151(268)234-177(202)246-165(137)284/h3-12,33-34,55-68,71-110,116-135,280-281H,13-32,35-54H2,1-2H3,(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)(H,320,416)(H,321,417)(H2,196,229,296)(H2,197,230,297)(H2,198,231,298)(H2,199,232,299)(H2,200,233,300)(H2,201,214,215)(H,258,282,301)(H,259,283,302)(H3,202,234,246,284)(H3,203,235,247,285)(H3,204,236,248,286)(H3,205,237,249,287)(H3,206,238,250,288)(H3,207,239,251,289)(H3,208,240,252,290)(H3,209,241,253,291)(H3,210,242,254,292)(H3,211,243,255,293)(H3,212,244,256,294)(H3,213,245,257,295)

InChIKey

OZIACZJEUFQBEH-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131591