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

Structural Information

Molecular Formula

C₁₅₄H₁₈₆N₄₄O₈₈P₁₂S₄

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(=S)(O)OCC67COC(C6OP(=O)(O)OCC8C(C(C(O8)N9C=CC(=NC9=O)N)OC)OP(=S)(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(=S)(O)OCC13COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(OCC14COC(C1OP(=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(=NC1=O)N)C)S)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/C154H186N44O88P12S4/c1-58-30-190(144(212)178-111(58)156)133-101-106(149(42-199,269-133)43-244-101)282-290(223,224)254-39-77-91(98(241-10)127(263-77)188-24-20-81(202)176-142(188)210)279-296(234,300)259-50-152-46-247-104(136(272-152)193-33-61(4)114(159)181-147(193)215)109(152)285-293(229,230)255-40-76-90(97(240-9)126(262-76)187-23-19-80(155)175-141(187)209)278-295(233,299)257-48-150-44-246-103(135(270-150)192-32-60(3)113(158)180-146(192)214)108(150)284-292(227,228)253-37-75-88(95(238-7)130(266-75)196-55-171-84-117(162)167-53-169-120(84)196)276-288(219,220)250-35-73-89(96(239-8)131(267-73)197-56-172-85-121(197)183-139(164)185-124(85)206)277-289(221,222)251-38-79-93(100(243-12)132(268-79)198-57-173-86-122(198)184-140(165)186-125(86)207)281-298(236,302)260-51-153-47-248-105(137(273-153)194-34-62(5)115(160)182-148(194)216)110(153)286-294(231,232)256-41-78-92(99(242-11)128(264-78)189-25-21-82(203)177-143(189)211)280-297(235,301)258-49-151-45-245-102(134(271-151)191-31-59(2)112(157)179-145(191)213)107(151)283-291(225,226)252-36-74-87(94(237-6)129(265-74)195-54-170-83-116(161)166-52-168-119(83)195)275-287(217,218)249-26-22-70(118(163)204)174-123(205)63-13-16-66-69(27-63)154(274-138(66)208)67-17-14-64(200)28-71(67)261-72-29-65(201)15-18-68(72)154/h13-21,23-25,27-34,52-57,70,73-79,87-110,126-137,199-201H,22,26,35-51H2,1-12H3,(H2,163,204)(H,174,205)(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,233,299)(H,234,300)(H,235,301)(H,236,302)(H2,155,175,209)(H2,156,178,212)(H2,157,179,213)(H2,158,180,214)(H2,159,181,215)(H2,160,182,216)(H2,161,166,168)(H2,162,167,169)(H,176,202,210)(H,177,203,211)(H3,164,183,185,206)(H3,165,184,186,207)/t70-,73?,74?,75?,76?,77?,78?,79?,87?,88?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,126?,127?,128?,129?,130?,131?,132?,133?,134?,135?,136?,137?,149?,150?,151?,152?,153?,295?,296?,297?,298?/m0/s1

InChIKey

PHUBJILRQRXHHY-COQZHHLVSA-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)-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-sulfanylphosphoryl]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-hydroxyphosphinothioyl]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-hydroxyphosphinothioyl]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-hydroxyphosphinothioyl]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 16131966