Hiv-1 12-mer tar rna containing deoxynucleotides and 2',4'-locked .alpha.-l-nucleotides: 5'-[.alpha.-l-lna(c)-t-.alpha.-l-lna(c)-c-.alpha.-l-lna(c)-a-g-g-.alpha.-l-lna(c)-t-.alpha.-l-lna(c)-a-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₄₉H₁₇₆N₄₄O₈₅P₁₂

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3C4C(OC3(CO4)CO)N5C=C(C(=NC5=O)N)C)OP(=O)(O)OCC67COC(C6OP(=O)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=O)(O)OCC12COC(C1OP(=O)(O)OCC1C(CC(O1)N1C=NC3=C(N=CN=C31)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC3=C1N=C(NC3=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC3=C1N=C(NC3=O)N)OP(=O)(O)OCC13COC(C1OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC14COC(C1OP(=O)(O)OCC1C(CC(O1)N1C=NC5=C(N=CN=C51)N)OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC5=C(C=C1)C(=O)OC51C5=C(C=C(C=C5)O)OC5=C1C=CC(=C5)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/C149H176N44O85P12/c1-58-28-185(137(205)171-111(58)151)128-101-106(144(42-194,261-128)43-236-101)274-282(218,219)244-38-83-76(22-91(255-83)183-33-63(6)123(198)180-142(183)210)271-288(230,231)250-49-146-45-238-102(129(263-146)186-29-59(2)112(152)172-138(186)206)107(146)275-283(220,221)245-37-82-75(21-90(254-82)182-16-14-89(150)170-136(182)204)270-287(228,229)249-48-145-44-237-104(131(262-145)188-31-61(4)114(154)174-140(188)208)109(145)278-286(226,227)248-41-88-79(25-94(258-88)191-55-166-98-117(157)162-53-164-120(98)191)268-280(214,215)242-35-85-80(26-95(259-85)192-56-167-99-121(192)176-134(159)178-126(99)201)269-281(216,217)243-36-86-81(27-96(260-86)193-57-168-100-122(193)177-135(160)179-127(100)202)273-290(234,235)252-51-148-47-240-103(130(265-148)187-30-60(3)113(153)173-139(187)207)108(148)276-284(222,223)246-39-84-77(23-92(256-84)184-34-64(7)124(199)181-143(184)211)272-289(232,233)251-50-147-46-239-105(132(264-147)189-32-62(5)115(155)175-141(189)209)110(147)277-285(224,225)247-40-87-78(24-93(257-87)190-54-165-97-116(156)161-52-163-119(97)190)267-279(212,213)241-17-15-72(118(158)197)169-125(200)65-8-11-68-71(18-65)149(266-133(68)203)69-12-9-66(195)19-73(69)253-74-20-67(196)10-13-70(74)149/h8-14,16,18-20,28-34,52-57,72,75-88,90-96,101-110,128-132,194-196H,15,17,21-27,35-51H2,1-7H3,(H2,158,197)(H,169,200)(H,212,213)(H,214,215)(H,216,217)(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)(H2,150,170,204)(H2,151,171,205)(H2,152,172,206)(H2,153,173,207)(H2,154,174,208)(H2,155,175,209)(H2,156,161,163)(H2,157,162,164)(H,180,198,210)(H,181,199,211)(H3,159,176,178,201)(H3,160,177,179,202)/t72-,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,90?,91?,92?,93?,94?,95?,96?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,128?,129?,130?,131?,132?,144?,145?,146?,147?,148?/m0/s1

InChIKey

VZBFQAMGQHGCPW-DFUWBZMMSA-N

Compound name

[3-[[7-[[3-[[7-[[3-[[3-[[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)oxolan-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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-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)oxolan-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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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 16131965