Endogenous peptide in human, mouse or rat

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  1. BAM (8-22) (Bovine Adrenal Medulla 8-22), Agonist of MRGPRX1
    Cas#: 412961-36-5        Compound CID:  16158367
    Formula:  C91H127N25O23S        Molecular Weight: 1971.22
    IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
    SMILES: CC(C)C(C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NCC(=O)O)N
    InChIKey: GOEYECACIBFJGZ-NPAGUKBMSA-N
    InChI: InChI=1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1
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