Hiv-1 12-mer tar rna containing 2'-o-methyl and 2',4'-locked nucleotides: 5'-[lna(c)-lna(u)-lna(c)-lna(c)-lna(c)-lna(a)-lna(g)-lna(g)-lna(c)-lna(u)-lna(c)-2'-ome(a)]-3'

Structural Information

Molecular Formula

C₁₃₀H₁₅₇N₄₂O₈₂P₁₁

SMILES

CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)CO)OP(=O)(O)OCC45COC(C4OP(=O)(O)OCC67COC(C6OP(=O)(O)OCC89COC(C8OP(=O)(O)OCC12COC(C1OP(=O)(O)OCC13COC(C1OP(=O)(O)OCC14COC(C1OP(=O)(O)OCC16COC(C1OP(=O)(O)OCC18COC(C1OP(=O)(O)OCC1%10COC(C1OP(=O)(O)OCC1%11COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC%12=C(N=CN=C%121)N)OC)O)C(O%11)N1C=C(C(=NC1=O)N)C)C(O%10)N1C=CC(=O)NC1=O)C(O8)N1C=C(C(=NC1=O)N)C)C(O6)N1C=NC6=C1N=C(NC6=O)N)C(O4)N1C=NC4=C1N=C(NC4=O)N)C(O3)N1C=NC3=C(N=CN=C31)N)C(O2)N1C=C(C(=NC1=O)N)C)C(O9)N1C=C(C(=NC1=O)N)C)C(O7)N1C=C(C(=NC1=O)N)C)C(O5)N1C=CC(=O)NC1=O

InChI

InChI=1S/C130H157N42O82P11/c1-47-12-163(114(181)151-84(47)131)101-62-73(120(19-173,233-101)20-210-62)244-256(189,190)222-31-121-21-211-63(99(234-121)161-10-8-54(174)149-112(161)179)74(121)246-258(193,194)225-34-124-24-214-67(104(237-124)166-15-50(4)87(134)154-117(166)184)78(124)249-260(197,198)226-35-125-25-215-68(105(238-125)167-16-51(5)88(135)155-118(167)185)79(125)250-261(199,200)227-36-126-26-216-69(106(239-126)168-17-52(6)89(136)156-119(168)186)80(126)251-262(201,202)229-38-128-28-218-70(107(241-128)170-44-146-57-91(138)142-42-144-93(57)170)81(128)252-264(205,206)230-39-129-29-220-72(109(242-129)172-46-148-59-95(172)158-111(140)160-97(59)178)83(129)254-265(207,208)231-40-130-30-219-71(108(243-130)171-45-147-58-94(171)157-110(139)159-96(58)177)82(130)253-263(203,204)228-37-127-27-217-66(103(240-127)165-14-49(3)86(133)153-116(165)183)77(127)248-259(195,196)223-32-122-22-212-64(100(235-122)162-11-9-55(175)150-113(162)180)75(122)247-257(191,192)224-33-123-23-213-65(102(236-123)164-13-48(2)85(132)152-115(164)182)76(123)245-255(187,188)221-18-53-60(176)61(209-7)98(232-53)169-43-145-56-90(137)141-41-143-92(56)169/h8-17,41-46,53,60-83,98-109,173,176H,18-40H2,1-7H3,(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H2,131,151,181)(H2,132,152,182)(H2,133,153,183)(H2,134,154,184)(H2,135,155,185)(H2,136,156,186)(H2,137,141,143)(H2,138,142,144)(H,149,174,179)(H,150,175,180)(H3,139,157,159,177)(H3,140,158,160,178)

InChIKey

GGADWGKZNWYIJX-UHFFFAOYSA-N

Compound name

[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[1-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[1-[[[1-[[[1-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[1-[[[3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(2-amino-6-oxo-1H-purin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-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 16131953