Pnatar-tat-peptide

Structural Information

Molecular Formula

C₂₄₈H₃₅₇N₁₂₇O₆₇S₂

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(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N)N)NC(=O)C)C(=O)CN4C=C(C(=O)NC4=O)C)C(=O)CN5C=CC(=NC5=O)N)C(=O)CN6C=CC(=NC6=O)N)C(=O)CN7C=CC(=NC7=O)N)C(=O)CN8C=NC9=C(N=CN=C98)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=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)CC(=O)N

InChI

InChI=1S/C248H357N127O67S2/c1-134-87-364(245(439)338-210(134)413)113-184(402)342(91-161(260)379)70-46-280-163(381)92-343(178(396)107-358-64-32-153(252)326-239(358)433)73-49-283-170(388)99-350(186(404)115-366-89-136(3)212(415)340-247(366)441)78-54-288-171(389)100-353(190(408)119-370-130-311-196-202(263)305-127-308-206(196)370)81-57-291-175(393)104-355(192(410)121-372-132-313-198-208(372)333-237(278)336-226(198)429)82-58-292-172(390)101-352(189(407)118-369-129-310-195-201(262)304-126-307-205(195)369)80-56-290-168(386)97-346(181(399)110-361-67-35-156(255)329-242(361)436)74-50-284-169(387)98-349(185(403)114-365-88-135(2)211(414)339-246(365)440)77-53-287-166(384)95-347(182(400)111-362-68-36-157(256)330-243(362)437)75-51-285-174(392)103-354(191(409)120-371-131-312-197-207(371)332-236(277)335-225(197)428)84-60-294-176(394)105-356(193(411)122-373-133-314-199-209(373)334-238(279)337-227(199)430)83-59-293-173(391)102-351(188(406)117-368-128-309-194-200(261)303-125-306-204(194)368)79-55-289-167(385)96-345(180(398)109-360-66-34-155(254)328-241(360)435)72-48-282-164(382)93-344(179(397)108-359-65-33-154(253)327-240(359)434)71-47-281-165(383)94-348(183(401)112-363-69-37-158(257)331-244(363)438)76-52-286-177(395)106-357(187(405)116-367-90-137(4)213(416)341-248(367)442)85-61-295-215(418)150(315-138(5)376)124-444-443-123-139(251)214(417)302-86-162(380)316-141(20-10-40-296-230(265)266)216(419)318-142(18-6-8-38-249)217(420)319-143(19-7-9-39-250)218(421)320-144(21-11-41-297-231(267)268)219(422)321-146(23-13-43-299-233(271)272)221(424)324-148(29-31-160(259)378)223(426)323-145(22-12-42-298-232(269)270)220(423)322-147(24-14-44-300-234(273)274)222(425)325-149(25-15-45-301-235(275)276)228(431)375-63-17-27-152(375)229(432)374-62-16-26-151(374)224(427)317-140(203(264)412)28-30-159(258)377/h32-37,64-69,87-90,125-133,139-152H,6-31,38-63,70-86,91-124,249-251H2,1-5H3,(H2,258,377)(H2,259,378)(H2,260,379)(H2,264,412)(H,280,381)(H,281,383)(H,282,382)(H,283,388)(H,284,387)(H,285,392)(H,286,395)(H,287,384)(H,288,389)(H,289,385)(H,290,386)(H,291,393)(H,292,390)(H,293,391)(H,294,394)(H,295,418)(H,302,417)(H,315,376)(H,316,380)(H,317,427)(H,318,419)(H,319,420)(H,320,421)(H,321,422)(H,322,423)(H,323,426)(H,324,424)(H,325,425)(H2,252,326,433)(H2,253,327,434)(H2,254,328,435)(H2,255,329,436)(H2,256,330,437)(H2,257,331,438)(H2,261,303,306)(H2,262,304,307)(H2,263,305,308)(H4,265,266,296)(H4,267,268,297)(H4,269,270,298)(H4,271,272,299)(H4,273,274,300)(H4,275,276,301)(H,338,413,439)(H,339,414,440)(H,340,415,441)(H,341,416,442)(H3,277,332,335,428)(H3,278,333,336,429)(H3,279,334,337,430)/t139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-/m0/s1

InChIKey

CHHAZGHKSVKHKD-JQTAMIJZSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-3-[[(2R)-2-acetamido-3-[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-[(2-amino-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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-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-(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-(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)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]-3-oxopropyl]disulfanyl]-2-aminopropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanediamide

Related CIDs

• CID 16134045