Hiv-1 8-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)-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₁₁H₁₂₉N₃₁O₆₄P₈

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)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=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/C111H129N31O64P8/c1-42-23-137(104(154)128-80(42)113)95-72-76(107(30-143,194-95)31-177-72)203-208(159,160)182-26-56-65(69(174-5)92(191-56)136-18-15-60(146)127-103(136)153)201-213(169,170)187-36-108-32-178-73(96(195-108)138-24-43(2)81(114)129-105(138)155)77(108)204-209(161,162)183-27-55-64(68(173-4)91(190-55)135-17-14-59(112)126-102(135)152)200-212(167,168)186-35-109-33-179-74(97(196-109)139-25-44(3)82(115)130-106(139)156)78(109)205-210(163,164)185-29-58-67(70(175-6)93(192-58)140-39-122-61-83(116)120-38-121-85(61)140)202-214(171,172)188-37-110-34-180-75(98(197-110)142-41-124-63-87(142)132-101(119)134-90(63)150)79(110)206-211(165,166)184-28-57-66(71(176-7)94(193-57)141-40-123-62-86(141)131-100(118)133-89(62)149)199-207(157,158)181-19-16-52(84(117)147)125-88(148)45-8-11-48-51(20-45)111(198-99(48)151)49-12-9-46(144)21-53(49)189-54-22-47(145)10-13-50(54)111/h8-15,17-18,20-25,38-41,52,55-58,64-79,91-98,143-145H,16,19,26-37H2,1-7H3,(H2,117,147)(H,125,148)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H2,112,126,152)(H2,113,128,154)(H2,114,129,155)(H2,115,130,156)(H2,116,120,121)(H,127,146,153)(H3,118,131,133,149)(H3,119,132,134,150)/t52-,55?,56?,57?,58?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,91?,92?,93?,94?,95?,96?,97?,98?,107?,108?,109?,110?/m0/s1

InChIKey

JSEIAMMXOVCPIG-ZBAWEMOSSA-N

Compound name

[3-[[7-[[3-[[7-[[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-(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 16131963