[gpgr]8-spc

Structural Information

Molecular Formula

C₁₆₅H₂₉₁N₇₁O₄₁

SMILES

C1C[C@H](N(C1)C(=O)CN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)CN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)CN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]6CCCN6C(=O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)CN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]8CCCN8C(=O)CN

InChI

InChI=1S/C165H291N71O41/c166-79-126(245)229-71-23-46-110(229)150(270)206-87-118(237)214-95(38-15-62-198-158(174)175)135(255)190-55-8-1-31-99(222-143(263)103(42-19-66-202-162(182)183)218-122(241)91-210-154(274)114-50-27-75-233(114)130(249)83-170)139(259)194-59-10-3-33-101(224-147(267)107(226-145(265)105(44-21-68-204-164(186)187)220-124(243)93-212-156(276)116-52-29-77-235(116)132(251)85-172)35-5-12-57-192-137(257)97(40-17-64-200-160(178)179)216-120(239)89-208-152(272)112-48-25-73-231(112)128(247)81-168)141(261)195-60-11-4-34-102(142(262)197-70-54-134(253)254)225-148(268)108(228-149(269)109(227-146(266)106(45-22-69-205-165(188)189)221-125(244)94-213-157(277)117-53-30-78-236(117)133(252)86-173)37-6-13-58-193-138(258)98(41-18-65-201-161(180)181)217-121(240)90-209-153(273)113-49-26-74-232(113)129(248)82-169)36-7-14-61-196-140(260)100(223-144(264)104(43-20-67-203-163(184)185)219-123(242)92-211-155(275)115-51-28-76-234(115)131(250)84-171)32-2-9-56-191-136(256)96(39-16-63-199-159(176)177)215-119(238)88-207-151(271)111-47-24-72-230(111)127(246)80-167/h95-117H,1-94,166-173H2,(H,190,255)(H,191,256)(H,192,257)(H,193,258)(H,194,259)(H,195,261)(H,196,260)(H,197,262)(H,206,270)(H,207,271)(H,208,272)(H,209,273)(H,210,274)(H,211,275)(H,212,276)(H,213,277)(H,214,237)(H,215,238)(H,216,239)(H,217,240)(H,218,241)(H,219,242)(H,220,243)(H,221,244)(H,222,263)(H,223,264)(H,224,267)(H,225,268)(H,226,265)(H,227,266)(H,228,269)(H,253,254)(H4,174,175,198)(H4,176,177,199)(H4,178,179,200)(H4,180,181,201)(H4,182,183,202)(H4,184,185,203)(H4,186,187,204)(H4,188,189,205)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-/m0/s1

InChIKey

XPPCAVFICRGFSB-HDCKLXEVSA-N

Compound name

3-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 25091345