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

Structural Information

Molecular Formula

C₁₅₁H₁₈₀N₄₄O₉₂P₁₂

SMILES

CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)COP(=O)(O)OC4C(OC(C4O)N5C=CC(=NC5=O)N)CO)OP(=O)(O)OCC6C(C(C(O6)N7C=CC(=NC7=O)N)OC)OP(=O)(O)OCC89COC(C8OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC12COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC3=C1N=C(NC3=O)N)OC)OP(=O)(O)OCC13COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC14COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC5=C(N=CN=C51)N)OC)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(=O)NC1=O)C)C(O3)N1C=NC3=C1N=C(NC3=O)N)C(O2)N1C=NC2=C(N=CN=C21)N)C(O9)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C151H180N44O92P12/c1-57-31-189(143(212)177-110(57)157)130-100-105(147(270-130,42-245-100)47-258-296(231,232)279-89-72(265-125(95(89)240-5)186-24-18-79(154)174-140(186)209)38-254-292(223,224)284-106-101-131(190-32-58(2)118(201)182-144(190)213)271-146(106,41-246-101)46-257-295(229,230)276-87-70(34-196)263-123(86(87)199)184-22-16-77(152)172-138(184)207)283-291(221,222)253-37-73-91(97(242-7)127(266-73)188-26-20-81(156)176-142(188)211)281-298(235,236)260-49-149-44-248-103(133(273-149)193-54-168-83-112(159)164-52-166-115(83)193)108(149)286-294(227,228)256-40-76-93(99(244-9)129(269-76)194-55-169-84-116(194)178-136(161)180-121(84)204)282-299(237,238)261-50-150-45-249-104(134(274-150)195-56-170-85-117(195)179-137(162)181-122(85)205)109(150)287-293(225,226)255-39-74-90(96(241-6)126(267-74)187-25-19-80(155)175-141(187)210)280-297(233,234)259-48-148-43-247-102(132(272-148)191-33-59(3)119(202)183-145(191)214)107(148)285-290(219,220)252-36-71-88(94(239-4)124(264-71)185-23-17-78(153)173-139(185)208)278-289(217,218)251-35-75-92(98(243-8)128(268-75)192-53-167-82-111(158)163-51-165-114(82)192)277-288(215,216)250-27-21-67(113(160)200)171-120(203)60-10-13-63-66(28-60)151(275-135(63)206)64-14-11-61(197)29-68(64)262-69-30-62(198)12-15-65(69)151/h10-20,22-26,28-33,51-56,67,70-76,86-109,123-134,196-199H,21,27,34-50H2,1-9H3,(H2,160,200)(H,171,203)(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)(H2,152,172,207)(H2,153,173,208)(H2,154,174,209)(H2,155,175,210)(H2,156,176,211)(H2,157,177,212)(H2,158,163,165)(H2,159,164,166)(H,182,201,213)(H,183,202,214)(H3,161,178,180,204)(H3,162,179,181,205)/t67-,70?,71?,72?,73?,74?,75?,76?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,123?,124?,125?,126?,127?,128?,129?,130?,131?,132?,133?,134?,146?,147?,148?,149?,150?/m0/s1

InChIKey

LKTIOLUJRPZLAW-OREJCOOESA-N

Compound name

[7-[[3-[[7-[[3-[[7-[[3-[[7-[[3-[[7-[[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-3-(5-methyl-2,4-dioxopyrimidin-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-3-(2-amino-6-oxo-1H-purin-9-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-(6-aminopurin-9-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-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-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16131950