Hiv-1 12-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)-3'

Structural Information

Molecular Formula

C₁₂₉H₁₆₇N₄₂O₈₂P₁₁

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)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OCC14COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC5=C(N=CN=C51)N)OC)O)C(O4)N1C=C(C(=NC1=O)N)C)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/C129H167N42O82P11/c1-47-19-163(120(181)151-90(47)131)110-80-85(125(31-172,238-110)32-215-80)249-257(192,193)223-27-54-68(75(210-8)105(233-54)161-17-14-60(173)149-118(161)179)246-263(204,205)229-39-127-34-217-82(112(240-127)165-21-49(3)92(133)153-122(165)183)87(127)251-258(194,195)224-28-53-67(74(209-7)104(232-53)160-16-13-59(130)148-117(160)178)245-261(200,201)228-38-128-35-218-84(114(241-128)167-23-51(5)94(135)155-124(167)185)89(128)253-260(198,199)226-30-58-70(77(212-10)107(235-58)169-44-145-63-96(137)141-42-143-98(63)169)243-254(186,187)221-25-56-71(78(213-11)108(236-56)170-45-146-64-99(170)156-115(138)158-101(64)176)244-255(188,189)222-26-57-72(79(214-12)109(237-57)171-46-147-65-100(171)157-116(139)159-102(65)177)248-264(206,207)230-40-129-36-219-83(113(242-129)166-22-50(4)93(134)154-123(166)184)88(129)252-259(196,197)225-29-55-69(76(211-9)106(234-55)162-18-15-61(174)150-119(162)180)247-262(202,203)227-37-126-33-216-81(111(239-126)164-20-48(2)91(132)152-121(164)182)86(126)250-256(190,191)220-24-52-66(175)73(208-6)103(231-52)168-43-144-62-95(136)140-41-142-97(62)168/h13-23,41-46,52-58,66-89,103-114,172,175H,24-40H2,1-12H3,(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H2,130,148,178)(H2,131,151,181)(H2,132,152,182)(H2,133,153,183)(H2,134,154,184)(H2,135,155,185)(H2,136,140,142)(H2,137,141,143)(H,149,173,179)(H,150,174,180)(H3,138,156,158,176)(H3,139,157,159,177)

InChIKey

GIDIDTFKTLQVAI-UHFFFAOYSA-N

Compound name

[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[2-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[2-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl] [5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16131949