Hiv-1 9-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)-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₂₂H₁₄₅N₃₄O₇₁P₉

SMILES

CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)CO)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)OC)OP(=O)(O)OCC67COC(C6OP(=O)(O)OCC8C(C(C(O8)N9C=CC(=NC9=O)N)OC)OP(=O)(O)OCC12COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC3=C(N=CN=C31)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC3=C1N=C(NC3=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC3=C1N=C(NC3=O)N)OC)OP(=O)(O)OCC13COC(C1OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC4=C(C=C1)C(=O)OC41C4=C(C=C(C=C4)O)OC4=C1C=CC(=C4)O)C(O3)N1C=C(C(=NC1=O)N)C)C(O2)N1C=C(C(=NC1=O)N)C)C(O7)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C122H145N34O71P9/c1-46-25-150(114(168)140-88(46)124)105-80-84(118(34-157,214-105)35-195-80)224-231(178,179)202-31-61-71(76(191-6)101(210-61)149-20-17-66(160)139-113(149)167)222-235(186,187)207-41-120-37-197-82(107(216-120)152-27-48(3)90(126)142-116(152)170)86(120)226-232(180,181)203-32-60-70(75(190-5)100(209-60)148-19-16-65(123)138-112(148)166)221-234(184,185)206-40-121-38-198-83(108(217-121)153-28-49(4)91(127)143-117(153)171)87(121)227-233(182,183)204-33-64-72(77(192-7)102(211-64)154-43-134-67-92(128)132-42-133-94(67)154)219-229(174,175)200-29-62-73(78(193-8)103(212-62)155-44-135-68-95(155)144-110(130)146-98(68)163)220-230(176,177)201-30-63-74(79(194-9)104(213-63)156-45-136-69-96(156)145-111(131)147-99(69)164)223-236(188,189)205-39-119-36-196-81(106(215-119)151-26-47(2)89(125)141-115(151)169)85(119)225-228(172,173)199-21-18-57(93(129)161)137-97(162)50-10-13-53-56(22-50)122(218-109(53)165)54-14-11-51(158)23-58(54)208-59-24-52(159)12-15-55(59)122/h10-17,19-20,22-28,42-45,57,60-64,70-87,100-108,157-159H,18,21,29-41H2,1-9H3,(H2,129,161)(H,137,162)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H2,123,138,166)(H2,124,140,168)(H2,125,141,169)(H2,126,142,170)(H2,127,143,171)(H2,128,132,133)(H,139,160,167)(H3,130,144,146,163)(H3,131,145,147,164)/t57-,60?,61?,62?,63?,64?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,100?,101?,102?,103?,104?,105?,106?,107?,108?,118?,119?,120?,121?/m0/s1

InChIKey

PKHBGDNTEAGXGO-DNCPCYBASA-N

Compound name

[3-[[7-[[3-[[7-[[3-[[3-[[3-[[7-[[(3S)-4-amino-3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]-4-oxobutoxy]-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 16131960