Hiv-1 16-mer tar rna containing 2'-o-methyl and 2',4'-locked nucleotides: [5'-lna(c)-2'-ome(u)-lna(c)-2'-ome(c)-lna(c)-2'-ome(a)-2'-ome(g)-2'-ome(g)-lna(c)-2'-ome(u)-lna(c)-2'-ome(a)-2'-ome(g)-2'-ome(a)-lna(t)-2'-ome(c)-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₉₇H₂₄₁N₅₉O₁₂₀P₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)COP(=O)(O)OC4C(OC(C4OC)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC7C(OC(C7OC)N8C=NC9=C8N=C(NC9=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C2C(OC1(CO2)CO)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C197H241N59O120P16/c1-73-36-245(185(273)229-141(73)200)171-129-135(191(52-257,354-171)53-321-129)371-382(289,290)332-47-91-111(121(313-9)163(346-91)243-30-25-101(260)227-183(243)271)367-389(303,304)339-60-192-54-322-130(172(355-192)246-37-74(2)142(201)230-186(246)274)136(192)372-384(293,294)334-48-90-110(120(312-8)162(345-90)242-29-24-100(199)226-182(242)270)366-388(301,302)338-59-193-55-323-132(174(356-193)248-39-76(4)144(203)232-188(248)276)138(193)374-386(297,298)336-50-97-114(124(316-12)166(349-97)252-68-219-104-147(206)213-65-216-151(104)252)363-379(283,284)329-43-94-116(127(319-15)169(352-94)255-71-222-107-154(255)235-179(210)238-159(107)266)365-381(287,288)331-45-96-118(128(320-16)170(353-96)256-72-223-108-155(256)236-180(211)239-160(108)267)370-392(309,310)341-62-195-57-325-131(173(358-195)247-38-75(3)143(202)231-187(247)275)137(195)373-385(295,296)335-49-92-112(122(314-10)164(347-92)244-31-26-102(261)228-184(244)272)368-390(305,306)340-61-194-56-324-133(175(357-194)249-40-77(5)145(204)233-189(249)277)139(194)375-387(299,300)337-51-98-113(123(315-11)165(350-98)251-67-218-103-146(205)212-64-215-150(103)251)362-378(281,282)328-42-93-115(126(318-14)168(351-93)254-70-221-106-153(254)234-178(209)237-158(106)265)364-380(285,286)330-44-95-117(125(317-13)167(348-95)253-69-220-105-148(207)214-66-217-152(105)253)369-391(307,308)342-63-196-58-326-134(176(359-196)250-41-78(6)156(263)240-190(250)278)140(196)376-383(291,292)333-46-89-109(119(311-7)161(344-89)241-28-23-99(198)225-181(241)269)361-377(279,280)327-32-27-86(149(208)262)224-157(264)79-17-20-82-85(33-79)197(360-177(82)268)83-21-18-80(258)34-87(83)343-88-35-81(259)19-22-84(88)197/h17-26,28-31,33-41,64-72,86,89-98,109-140,161-176,257-259H,27,32,42-63H2,1-16H3,(H2,208,262)(H,224,264)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H2,198,225,269)(H2,199,226,270)(H2,200,229,273)(H2,201,230,274)(H2,202,231,275)(H2,203,232,276)(H2,204,233,277)(H2,205,212,215)(H2,206,213,216)(H2,207,214,217)(H,227,260,271)(H,228,261,272)(H,240,263,278)(H3,209,234,237,265)(H3,210,235,238,266)(H3,211,236,239,267)/t86-,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,109?,110?,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,122?,123?,124?,125?,126?,127?,128?,129?,130?,131?,132?,133?,134?,135?,136?,137?,138?,139?,140?,161?,162?,163?,164?,165?,166?,167?,168?,169?,170?,171?,172?,173?,174?,175?,176?,191?,192?,193?,194?,195?,196?/m0/s1

InChIKey

DEANVFWFYJCMIZ-LPPAJBOJSA-N

Compound name

[3-[[7-[[3-[[7-[[3-[[3-[[3-[[7-[[3-[[7-[[3-[[3-[[3-[[7-[[3-[[(3S)-4-amino-3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]-4-oxobutoxy]-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] hydrogen phosphate

Related CIDs

• CID 16131956