Anti-tat splice acceptor site

Structural Information

Molecular Formula

C₂₁₁H₂₆₆N₈₄O₁₁₅P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(C)OC8CC(OC8COP(=O)(C)OC9CC(OC9CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C211H266N84O115P20/c1-86-37-278(207(309)270-193(86)298)140-22-97(396-415(318,319)354-47-117-95(20-146(381-117)285-75-250-159-172(217)230-65-240-182(159)285)394-413(8,316)352-45-115-94(19-145(379-115)284-74-249-158-171(216)229-64-239-181(158)284)393-411(6,314)350-43-113-91(297)16-136(371-113)283-73-248-157-170(215)228-63-238-180(157)283)121(376-140)51-358-422(332,333)404-105-30-150(289-79-254-163-176(221)234-69-244-186(163)289)386-128(105)58-365-429(346,347)409-111-36-156(295-85-260-169-192(295)266-203(227)269-200(169)305)390-132(111)62-369-430(348,349)410-110-35-155(294-84-259-168-191(294)265-202(226)268-199(168)304)389-131(110)61-368-420(328,329)400-101-26-144(282-41-90(5)197(302)274-211(282)313)378-123(101)53-360-424(336,337)403-104-29-149(288-78-253-162-175(220)233-68-243-185(162)288)383-125(104)55-362-425(338,339)405-106-31-151(290-80-255-164-177(222)235-70-245-187(164)290)384-126(106)56-363-426(340,341)406-107-32-152(291-81-256-165-178(223)236-71-246-188(165)291)385-127(107)57-364-427(342,343)407-108-33-153(292-82-257-166-179(224)237-72-247-189(166)292)387-129(108)59-366-428(344,345)408-109-34-154(293-83-258-167-190(293)264-201(225)267-198(167)303)388-130(109)60-367-419(326,327)399-100-25-143(281-40-89(4)196(301)273-210(281)312)374-119(100)49-356-416(320,321)395-96-21-139(277-15-12-135(214)263-206(277)308)373-118(96)48-355-417(322,323)397-98-23-141(279-38-87(2)194(299)271-208(279)310)375-120(98)50-357-418(324,325)398-99-24-142(280-39-88(3)195(300)272-209(280)311)377-122(99)52-359-423(334,335)402-103-28-148(287-77-252-161-174(219)232-67-242-184(161)287)382-124(103)54-361-421(330,331)401-102-27-147(286-76-251-160-173(218)231-66-241-183(160)286)380-116(102)46-353-414(9,317)392-93-18-138(276-14-11-134(213)262-205(276)307)372-114(93)44-351-412(7,315)391-92-17-137(370-112(92)42-296)275-13-10-133(212)261-204(275)306/h10-15,37-41,63-85,91-132,136-156,296-297H,16-36,42-62H2,1-9H3,(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H2,212,261,306)(H2,213,262,307)(H2,214,263,308)(H2,215,228,238)(H2,216,229,239)(H2,217,230,240)(H2,218,231,241)(H2,219,232,242)(H2,220,233,243)(H2,221,234,244)(H2,222,235,245)(H2,223,236,246)(H2,224,237,247)(H,270,298,309)(H,271,299,310)(H,272,300,311)(H,273,301,312)(H,274,302,313)(H3,225,264,267,303)(H3,226,265,268,304)(H3,227,266,269,305)

InChIKey

RJNNAZAHHQZHOU-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-methylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16133902