Hiv-1 12-mer tar rna containing 2'-o-methyl and 2',4'-locked nucleotides: [5'-lna(c)-2'-ome(u)-lna(c)-lna(c)-lna(c)-2'-ome(a)-lna(g)-2'-ome(g)-lna(c)-2'-ome(u)-lna(c)-2'-ome(a)-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₅₅H₁₈₄N₄₄O₉₂P₁₂

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)OCC89COC(C8OP(=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)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OCC15COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC6=C(N=CN=C61)N)OC)OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC6=C(C=C1)C(=O)OC61C6=C(C=C(C=C6)O)OC6=C1C=CC(=C6)O)C(O5)N1C=C(C(=NC1=O)N)C)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(O9)N1C=C(C(=NC1=O)N)C)C(O7)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C155H184N44O92P12/c1-58-27-190(142(212)178-109(58)156)130-95-102(148(38-200,272-130)39-247-95)285-293(220,221)255-33-74-85(90(242-7)125(267-74)188-21-18-79(203)176-140(188)210)281-299(232,233)262-48-151-42-251-99(134(275-151)194-31-62(5)113(160)182-146(194)216)106(151)290-303(240,241)265-51-153-44-252-100(135(277-153)195-32-63(6)114(161)183-147(195)217)107(153)291-302(238,239)264-50-152-43-250-98(133(276-152)193-30-61(4)112(159)181-145(193)215)105(152)288-296(226,227)258-36-77-88(93(245-10)128(270-77)197-55-172-82-116(163)168-53-170-119(82)197)283-301(236,237)263-49-154-45-253-101(136(278-154)199-57-174-84-121(199)185-139(166)187-124(84)208)108(154)289-297(228,229)259-37-78-89(94(246-11)129(271-78)198-56-173-83-120(198)184-138(165)186-123(83)207)284-300(234,235)261-47-150-41-249-96(131(274-150)191-28-59(2)110(157)179-143(191)213)103(150)286-294(222,223)256-34-75-86(91(243-8)126(268-75)189-22-19-80(204)177-141(189)211)282-298(230,231)260-46-149-40-248-97(132(273-149)192-29-60(3)111(158)180-144(192)214)104(149)287-295(224,225)257-35-76-87(92(244-9)127(269-76)196-54-171-81-115(162)167-52-169-118(81)196)280-292(218,219)254-23-20-71(117(164)205)175-122(206)64-12-15-67-70(24-64)155(279-137(67)209)68-16-13-65(201)25-72(68)266-73-26-66(202)14-17-69(73)155/h12-19,21-22,24-32,52-57,71,74-78,85-108,125-136,200-202H,20,23,33-51H2,1-11H3,(H2,164,205)(H,175,206)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H2,156,178,212)(H2,157,179,213)(H2,158,180,214)(H2,159,181,215)(H2,160,182,216)(H2,161,183,217)(H2,162,167,169)(H2,163,168,170)(H,176,203,210)(H,177,204,211)(H3,165,184,186,207)(H3,166,185,187,208)/t71-,74?,75?,76?,77?,78?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,125?,126?,127?,128?,129?,130?,131?,132?,133?,134?,135?,136?,148?,149?,150?,151?,152?,153?,154?/m0/s1

InChIKey

XBROCGLTLWBIKI-VBUGWDDDSA-N

Compound name

[3-[[7-[[7-[[7-[[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-(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-(2,4-dioxopyrimidin-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-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-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-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 16131952