Isis 6511

Structural Information

Molecular Formula

C₁₉₁H₂₄₂N₇₉O₉₆P₁₉S₁₉

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(OC1CO)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)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=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=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=CC(=NC1=O)N)O

InChI

InChI=1S/C191H242N79O96P19S19/c1-75-40-260(191(289)250-169(75)273)134-29-85(105(337-134)50-317-369(292,388)350-80-24-129(255-15-6-120(196)233-186(255)284)333-101(80)46-313-377(300,396)358-87-31-136(262-66-220-146-156(202)212-62-216-160(146)262)339-107(87)52-319-371(294,390)353-83-27-132(258-18-9-123(199)236-189(258)287)336-104(83)49-316-380(303,399)363-92-36-141(267-71-225-151-165(267)240-178(207)246-172(151)276)345-113(92)58-325-384(307,403)365-94-38-143(269-73-227-153-167(269)242-180(209)248-174(153)278)347-115(94)60-327-385(308,404)366-95-39-144(270-74-228-154-168(270)243-181(210)249-175(154)279)346-114(95)59-326-383(306,402)364-93-37-142(268-72-226-152-166(268)241-179(208)247-173(152)277)343-111(93)56-322-373(296,392)351-79-23-128(254-14-5-119(195)232-185(254)283)330-98(79)43-310-368(291,387)348-77-21-126(328-96(77)41-271)252-12-3-117(193)230-183(252)281)356-375(298,394)311-45-100-81(25-130(332-100)256-16-7-121(197)234-187(256)285)355-374(297,393)323-55-110-90(34-139(342-110)265-69-223-149-163(265)238-176(205)244-170(149)274)361-378(301,397)314-47-102-84(28-133(334-102)259-19-10-124(200)237-190(259)288)354-372(295,391)320-53-108-88(32-137(340-108)263-67-221-147-157(203)213-63-217-161(147)263)359-381(304,400)321-54-109-89(33-138(341-109)264-68-222-148-158(204)214-64-218-162(148)264)360-382(305,401)324-57-112-91(35-140(344-112)266-70-224-150-164(266)239-177(206)245-171(150)275)362-379(302,398)315-48-103-82(26-131(335-103)257-17-8-122(198)235-188(257)286)352-370(293,389)318-51-106-86(30-135(338-106)261-65-219-145-155(201)211-61-215-159(145)261)357-376(299,395)312-44-99-78(22-127(331-99)253-13-4-118(194)231-184(253)282)349-367(290,386)309-42-97-76(272)20-125(329-97)251-11-2-116(192)229-182(251)280/h2-19,40,61-74,76-115,125-144,271-272H,20-39,41-60H2,1H3,(H,290,386)(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)(H2,192,229,280)(H2,193,230,281)(H2,194,231,282)(H2,195,232,283)(H2,196,233,284)(H2,197,234,285)(H2,198,235,286)(H2,199,236,287)(H2,200,237,288)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,250,273,289)(H3,205,238,244,274)(H3,206,239,245,275)(H3,207,240,246,276)(H3,208,241,247,277)(H3,209,242,248,278)(H3,210,243,249,279)

InChIKey

YEWJMVLCMAZRBJ-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-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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-[[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-(4-amino-2-oxopyrimidin-1-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-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]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204704