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

Structural Information

Molecular Formula

C₁₁₁H₁₃₁N₃₁O₆₄P₈

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)OCC[C@@H](C(=O)N)NC(=O)C1=CC3=C(C=C1)C(=O)OC31C3=C(C=C(C=C3)O)OC3=C1C=CC(=C3)O)C(O2)N1C=C(C(=NC1=O)N)C)C(O7)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C111H131N31O64P8/c1-42-24-137(105(154)128-81(42)113)97-75-78(108(32-143,195-97)33-178-75)204-210(163,164)184-29-56-66(71(174-5)93(191-56)136-19-16-61(146)127-104(136)153)203-214(171,172)188-37-109-34-179-76(98(196-109)138-25-43(2)82(114)129-106(138)155)79(109)205-211(165,166)185-30-55-65(70(173-4)92(190-55)135-18-15-60(112)126-103(135)152)202-213(169,170)187-36-110-35-180-77(99(197-110)139-26-44(3)83(115)130-107(139)156)80(110)206-212(167,168)186-31-59-68(72(175-6)94(192-59)140-39-122-62-84(116)120-38-121-86(62)140)200-208(159,160)183-28-58-69(74(177-8)96(194-58)142-41-124-64-88(142)132-102(119)134-91(64)150)201-209(161,162)182-27-57-67(73(176-7)95(193-57)141-40-123-63-87(141)131-101(118)133-90(63)149)199-207(157,158)181-20-17-52(85(117)147)125-89(148)45-9-12-48-51(21-45)111(198-100(48)151)49-13-10-46(144)22-53(49)189-54-23-47(145)11-14-50(54)111/h9-16,18-19,21-26,38-41,52,55-59,65-80,92-99,143-145H,17,20,27-37H2,1-8H3,(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?,59?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,92?,93?,94?,95?,96?,97?,98?,99?,108?,109?,110?/m0/s1

InChIKey

JQIOJSRSQHGIFJ-KZXOBCIQSA-N

Compound name

[3-[[7-[[3-[[7-[[3-[[3-[[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-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 16131962