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

Structural Information

Molecular Formula

C₁₅₂H₁₈₆N₄₄O₉₂P₁₂

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)OCC6C(C(C(O6)N7C=CC(=NC7=O)N)OC)OP(=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)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)OCC13COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC4=C(N=CN=C41)N)OC)OP(=O)(O)OCC[C@@H](C(=O)N)NC(=O)C1=CC4=C(C=C1)C(=O)OC41C4=C(C=C(C=C4)O)OC4=C1C=CC(=C4)O)C(O3)N1C=C(C(=NC1=O)N)C)C(O2)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C152H186N44O92P12/c1-58-34-190(146(212)178-113(58)156)135-107-110(149(46-197,273-135)47-248-107)286-296(229,230)258-43-75-91(100(241-6)129(268-75)188-28-22-83(200)176-144(188)210)280-290(217,218)252-37-71-89(98(239-4)126(264-71)185-25-19-80(153)173-141(185)207)278-291(219,220)254-39-73-92(101(242-7)128(266-73)187-27-21-82(155)175-143(187)209)284-299(235,236)261-50-150-48-250-109(137(274-150)192-36-60(3)115(158)180-148(192)214)112(150)288-298(233,234)260-45-79-95(104(245-10)132(270-79)194-55-169-86-117(160)165-53-167-120(86)194)281-294(225,226)256-41-76-97(106(247-12)134(271-76)196-57-171-88-122(196)182-140(163)184-125(88)205)283-295(227,228)257-42-77-96(105(246-11)133(272-77)195-56-170-87-121(195)181-139(162)183-124(87)204)282-293(223,224)253-38-72-90(99(240-5)127(265-72)186-26-20-81(154)174-142(186)208)279-292(221,222)255-40-74-93(102(243-8)130(267-74)189-29-23-84(201)177-145(189)211)285-300(237,238)262-51-151-49-249-108(136(275-151)191-35-59(2)114(157)179-147(191)213)111(151)287-297(231,232)259-44-78-94(103(244-9)131(269-78)193-54-168-85-116(159)164-52-166-119(85)193)277-289(215,216)251-30-24-68(118(161)202)172-123(203)61-13-16-64-67(31-61)152(276-138(64)206)65-17-14-62(198)32-69(65)263-70-33-63(199)15-18-66(70)152/h13-23,25-29,31-36,52-57,68,71-79,89-112,126-137,197-199H,24,30,37-51H2,1-12H3,(H2,161,202)(H,172,203)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H2,153,173,207)(H2,154,174,208)(H2,155,175,209)(H2,156,178,212)(H2,157,179,213)(H2,158,180,214)(H2,159,164,166)(H2,160,165,167)(H,176,200,210)(H,177,201,211)(H3,162,181,183,204)(H3,163,182,184,205)/t68-,71?,72?,73?,74?,75?,76?,77?,78?,79?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,126?,127?,128?,129?,130?,131?,132?,133?,134?,135?,136?,137?,149?,150?,151?/m0/s1

InChIKey

KGGLPOMKAANHKP-QTVMCSBBSA-N

Compound name

[3-[[3-[[3-[[7-[[3-[[3-[[3-[[3-[[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-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-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)-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 [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 16131951