Anti-tar peptide nucleic acid oligonucleotide

Structural Information

Molecular Formula

C₁₆₈H₂₁₃N₉₁O₄₉

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)CN2C=CC(=NC2=O)N)C(=O)CN3C=CC(=NC3=O)N)C(=O)CN4C=NC5=C(N=CN=C54)N)C(=O)CN6C=NC7=C6N=C(NC7=O)N)C(=O)CN8C=CC(=NC8=O)N)C(=O)CN9C=C(C(=O)NC9=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)CC(=O)NCCN(CC(=O)NCCN(CC(=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=CC(=NC1=O)N

InChI

InChI=1S/C168H213N91O49/c1-92-51-252(167(307)226-147(92)292)77-126(284)237(62-111(269)189-16-40-231(120(278)71-246-29-5-96(172)210-161(246)301)55-104(262)185-12-36-229(53-102(178)260)128(286)80-255-87-203-135-142(255)216-154(180)221-149(135)294)44-20-193-107(265)58-233(122(280)73-248-31-7-98(174)212-163(248)303)39-15-188-105(263)56-232(121(279)72-247-30-6-97(173)211-162(247)302)38-14-187-106(264)57-235(124(282)75-250-33-9-100(176)214-165(250)305)42-18-191-115(273)66-242(132(290)83-258-90-206-138-145(258)219-157(183)224-152(138)297)49-25-198-117(275)68-243(133(291)84-259-91-207-139-146(259)220-158(184)225-153(139)298)50-26-199-116(274)67-240(130(288)81-256-88-204-136-143(256)217-155(181)222-150(136)295)47-23-196-110(268)61-234(123(281)74-249-32-8-99(175)213-164(249)304)41-17-190-112(270)63-238(127(285)78-253-52-93(2)148(293)227-168(253)308)45-21-194-108(266)59-236(125(283)76-251-34-10-101(177)215-166(251)306)43-19-192-114(272)65-241(131(289)82-257-89-205-137-144(257)218-156(182)223-151(137)296)48-24-197-113(271)64-239(129(287)79-254-86-202-134-140(179)200-85-201-141(134)254)46-22-195-109(267)60-230(119(277)70-245-28-4-95(171)209-160(245)300)37-13-186-103(261)54-228(35-11-169)118(276)69-244-27-3-94(170)208-159(244)299/h3-10,27-34,51-52,85-91H,11-26,35-50,53-84,169H2,1-2H3,(H2,178,260)(H,185,262)(H,186,261)(H,187,264)(H,188,263)(H,189,269)(H,190,270)(H,191,273)(H,192,272)(H,193,265)(H,194,266)(H,195,267)(H,196,268)(H,197,271)(H,198,275)(H,199,274)(H2,170,208,299)(H2,171,209,300)(H2,172,210,301)(H2,173,211,302)(H2,174,212,303)(H2,175,213,304)(H2,176,214,305)(H2,177,215,306)(H2,179,200,201)(H,226,292,307)(H,227,293,308)(H3,180,216,221,294)(H3,181,217,222,295)(H3,182,218,223,296)(H3,183,219,224,297)(H3,184,220,225,298)

InChIKey

ZWEGCPBQLMTEQE-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-amino-2-oxoethyl)-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(4-amino-2-oxopyrimidin-1-yl)acetamide

Related CIDs

• CID 16130303