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)-lna(g)-2'-ome(g)-lna(c)-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₂₂H₁₄₃N₃₄O₇₁P₉

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)OCC13COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC4=C1N=C(NC4=O)N)OC)OP(=O)(O)OCC14COC(C1OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC5=C(C=C1)C(=O)OC51C5=C(C=C(C=C5)O)OC5=C1C=CC(=C5)O)C(O4)N1C=C(C(=NC1=O)N)C)C(O3)N1C=NC3=C1N=C(NC3=O)N)C(O2)N1C=C(C(=NC1=O)N)C)C(O7)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C122H143N34O71P9/c1-46-24-150(113(168)140-87(46)124)103-77-82(117(32-157,213-103)33-194-77)223-229(174,175)200-28-61-70(74(191-6)100(210-61)149-19-16-65(160)139-112(149)167)220-234(184,185)206-40-119-35-196-79(105(215-119)152-26-48(3)89(126)142-115(152)170)84(119)225-230(176,177)201-29-60-69(73(190-5)99(209-60)148-18-15-64(123)138-111(148)166)219-233(182,183)205-39-120-36-197-80(106(216-120)153-27-49(4)90(127)143-116(153)171)85(120)226-231(178,179)202-30-62-71(75(192-7)101(211-62)154-43-134-66-91(128)132-42-133-93(66)154)221-236(188,189)207-41-121-37-198-81(107(217-121)156-45-136-68-95(156)145-110(131)147-98(68)164)86(121)227-232(180,181)203-31-63-72(76(193-8)102(212-63)155-44-135-67-94(155)144-109(130)146-97(67)163)222-235(186,187)204-38-118-34-195-78(104(214-118)151-25-47(2)88(125)141-114(151)169)83(118)224-228(172,173)199-20-17-57(92(129)161)137-96(162)50-9-12-53-56(21-50)122(218-108(53)165)54-13-10-51(158)22-58(54)208-59-23-52(159)11-14-55(59)122/h9-16,18-19,21-27,42-45,57,60-63,69-86,99-107,157-159H,17,20,28-41H2,1-8H3,(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?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,99?,100?,101?,102?,103?,104?,105?,106?,107?,117?,118?,119?,120?,121?/m0/s1

InChIKey

MUZMIVDOXNCFOW-PLKYGNFYSA-N

Compound name

[3-[[7-[[3-[[7-[[3-[[7-[[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-3-(2-amino-6-oxo-1H-purin-9-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-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 16131961