Tat(48-58)-c-nh2-oligo b cojugate

Structural Information

Molecular Formula

C₂₁₉H₃₀₉N₇₆O₁₀₁P₁₁S₂

SMILES

CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)COCCCCCCSSC[C@@H](C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=O)NC6=O)OC)OP(=O)(O)OCC78COC(C7OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=NC1=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)OCC13COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)OC)OP(=O)(O)OCC14COC(C1OP(=O)(O)OCC1C(C(C(O1)N1C=NC5=C(N=CN=C51)N)OC)OC(=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)C(O3)N1C=C(C(=NC1=O)N)C)C(O2)N1C=C(C(=NC1=O)N)C)C(O8)N1C=C(C(=NC1=O)N)C

InChI

InChI=1S/C219H309N76O101P11S2/c1-95-66-287(209(320)274-160(95)225)191-150-155(214(380-191,80-355-150)79-354-60-19-13-14-20-61-408-409-78-116(167(232)302)270-180(311)117-36-27-56-283(117)183(314)115(35-26-55-252-203(243)244)269-178(309)113(34-25-54-251-202(241)242)266-176(307)111(32-23-52-249-200(237)238)267-179(310)114(43-44-128(224)298)268-177(308)112(33-24-53-250-201(239)240)265-175(306)110(31-22-51-248-199(235)236)264-174(305)109(29-16-18-49-221)263-173(304)108(28-15-17-48-220)262-172(303)107(261-131(301)65-222)30-21-50-247-198(233)234)392-400(331,332)363-75-122-138(145(349-8)185(374-122)285-58-46-129(299)272-207(285)318)389-406(343,344)369-87-216-82-357-152(193(382-216)289-68-97(3)162(227)276-211(289)322)157(216)394-401(333,334)364-74-121-137(144(348-7)184(373-121)284-57-45-127(223)271-206(284)317)388-404(339,340)367-86-217-83-358-154(195(383-217)291-70-99(5)164(229)278-213(291)324)159(217)396-403(337,338)366-77-126-140(147(351-10)188(376-126)293-92-258-133-166(231)254-90-256-169(133)293)386-397(325,326)360-72-124-141(148(352-11)189(377-124)294-93-259-134-170(294)279-204(245)281-181(134)312)387-398(327,328)361-73-125-142(149(353-12)190(378-125)295-94-260-135-171(295)280-205(246)282-182(135)313)391-407(345,346)370-88-218-84-359-153(194(384-218)290-69-98(4)163(228)277-212(290)323)158(218)395-402(335,336)365-76-123-139(146(350-9)186(375-123)286-59-47-130(300)273-208(286)319)390-405(341,342)368-85-215-81-356-151(192(381-215)288-67-96(2)161(226)275-210(288)321)156(215)393-399(329,330)362-71-120-136(143(347-6)187(372-120)292-91-257-132-165(230)253-89-255-168(132)292)379-196(315)100-37-40-103-106(62-100)219(385-197(103)316)104-41-38-101(296)63-118(104)371-119-64-102(297)39-42-105(119)219/h37-42,45-47,57-59,62-64,66-70,89-94,107-117,120-126,136-159,184-195,296-297H,13-36,43-44,48-56,60-61,65,71-88,220-222H2,1-12H3,(H2,224,298)(H2,232,302)(H,261,301)(H,262,303)(H,263,304)(H,264,305)(H,265,306)(H,266,307)(H,267,310)(H,268,308)(H,269,309)(H,270,311)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H2,223,271,317)(H2,225,274,320)(H2,226,275,321)(H2,227,276,322)(H2,228,277,323)(H2,229,278,324)(H2,230,253,255)(H2,231,254,256)(H4,233,234,247)(H4,235,236,248)(H4,237,238,249)(H4,239,240,250)(H4,241,242,251)(H4,243,244,252)(H,272,299,318)(H,273,300,319)(H3,245,279,281,312)(H3,246,280,282,313)/t107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,120?,121?,122?,123?,124?,125?,126?,136?,137?,138?,139?,140?,141?,142?,143?,144?,145?,146?,147?,148?,149?,150?,151?,152?,153?,154?,155?,156?,157?,158?,159?,184?,185?,186?,187?,188?,189?,190?,191?,192?,193?,194?,195?,214?,215?,216?,217?,218?/m0/s1

InChIKey

CDOBDQHCCNRFFI-SEILDJOESA-N

Compound name

[2-[[[1-[[[2-[[[1-[[[2-[[[2-[[[2-[[[1-[[[2-[[[1-[[[2-[[[1-[6-[[(2R)-3-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-oxopropyl]disulfanyl]hexoxymethyl]-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 16197778