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

Structural Information

Molecular Formula

C₁₅₄H₁₉₆N₄₄O₉₂P₁₂

SMILES

CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)OC)OP(=O)(O)OCC5C(C(C(O5)N6C=C(C(=NC6=O)N)C)OC)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=NC8=O)N)OC)OP(=O)(O)OCC9C(C(C(O9)N1C=C(C(=NC1=O)N)C)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=C(C(=NC1=O)N)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)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)OC

InChI

InChI=1S/C154H196N44O92P12/c1-58-35-190(149(212)178-116(58)156)134-104(241-6)92(73(40-199)266-134)279-292(219,220)254-41-75-94(106(243-8)132(268-75)188-29-25-86(202)176-147(188)210)282-294(223,224)258-45-77-96(108(245-10)135(270-77)191-36-59(2)117(157)179-150(191)213)284-296(227,228)255-42-74-93(105(242-7)131(267-74)187-28-24-85(155)175-146(187)209)281-293(221,222)257-44-78-99(111(248-13)138(271-78)194-39-62(5)120(160)182-153(194)216)287-299(233,234)262-49-82-101(113(250-15)140(275-82)196-55-171-89-122(162)167-53-169-125(89)196)288-301(237,238)263-50-83-103(115(252-17)142(276-83)198-57-173-91-127(198)184-145(165)186-130(91)207)290-302(239,240)264-51-84-102(114(251-16)141(277-84)197-56-172-90-126(197)183-144(164)185-129(90)206)289-300(235,236)260-47-80-97(109(246-11)136(273-80)192-37-60(3)118(158)180-151(192)214)285-297(229,230)256-43-76-95(107(244-9)133(269-76)189-30-26-87(203)177-148(189)211)283-295(225,226)259-46-79-98(110(247-12)137(272-79)193-38-61(4)119(159)181-152(193)215)286-298(231,232)261-48-81-100(112(249-14)139(274-81)195-54-170-88-121(161)166-52-168-124(88)195)280-291(217,218)253-31-27-70(123(163)204)174-128(205)63-18-21-66-69(32-63)154(278-143(66)208)67-22-19-64(200)33-71(67)265-72-34-65(201)20-23-68(72)154/h18-26,28-30,32-39,52-57,70,73-84,92-115,131-142,199-201H,27,31,40-51H2,1-17H3,(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,233,234)(H,235,236)(H,237,238)(H,239,240)(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?,80?,81?,82?,83?,84?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,131?,132?,133?,134?,135?,136?,137?,138?,139?,140?,141?,142?/m0/s1

InChIKey

ZEMULKMHTSBZQK-OAMRETHHSA-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-5-methyl-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-5-methyl-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-5-methyl-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-5-methyl-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-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16131954