Hiv-1 12-mer tar rna containing 2'-o-methyl nucleotides: 5'-[2'-methoxy(cucccaggcuca)]-l-homoserine-6-carboxyfluorescein]

Structural Information

Molecular Formula

C₁₄₉H₁₈₆N₄₄O₉₂P₁₂

SMILES

COC1C(C(OC1N2C=CC(=NC2=O)N)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)OC)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=NC8=O)N)OC)OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C149H186N44O92P12/c1-236-104-92(68(40-194)261-126(104)182-28-19-80(150)170-141(182)204)274-287(214,215)249-41-74-98(110(242-7)132(267-74)188-34-25-86(197)176-147(188)210)281-291(222,223)252-44-70-94(106(238-3)128(263-70)184-30-21-82(152)172-143(184)206)277-288(216,217)250-42-69-93(105(237-2)127(262-69)183-29-20-81(151)171-142(183)205)276-289(218,219)251-43-71-97(109(241-6)131(264-71)187-33-24-85(155)175-146(187)209)280-294(228,229)257-49-77-101(113(245-10)135(270-77)191-55-166-89-117(157)162-53-164-120(89)191)283-296(232,233)258-50-78-103(115(247-12)137(271-78)193-57-168-91-122(193)179-140(160)181-125(91)202)285-297(234,235)259-51-79-102(114(246-11)136(272-79)192-56-167-90-121(192)178-139(159)180-124(90)201)284-295(230,231)255-46-73-95(107(239-4)129(266-73)185-31-22-83(153)173-144(185)207)278-290(220,221)254-47-75-99(111(243-8)133(268-75)189-35-26-87(198)177-148(189)211)282-292(224,225)253-45-72-96(108(240-5)130(265-72)186-32-23-84(154)174-145(186)208)279-293(226,227)256-48-76-100(112(244-9)134(269-76)190-54-165-88-116(156)161-52-163-119(88)190)275-286(212,213)248-36-27-65(118(158)199)169-123(200)58-13-16-61-64(37-58)149(273-138(61)203)62-17-14-59(195)38-66(62)260-67-39-60(196)15-18-63(67)149/h13-26,28-35,37-39,52-57,65,68-79,92-115,126-137,194-196H,27,36,40-51H2,1-12H3,(H2,158,199)(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,176,197,210)(H,177,198,211)(H3,159,178,180,201)(H3,160,179,181,202)/t65-,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,126?,127?,128?,129?,130?,131?,132?,133?,134?,135?,136?,137?/m0/s1

InChIKey

JCFLMEWFRKUEDX-SUDHDZROSA-N

Compound name

[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[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-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-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-(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-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16131948