Cyclokallidin

2-[3-[(1S,7S,13S,16S,22S,25S,28S,35S,38S)-35-amino-13,25-dibenzyl-28-[3-(diaminomethylideneamino)propyl]-16-(hydroxymethyl)-2,8,11,14,17,23,26,29,36,39-decaoxo-3,9,12,15,18,24,27,30,37,40-decazatetracyclo[38.3.0.03,7.018,22]tritetracontan-38-yl]propyl]guanidine

Also Known As: Cyclokallidin|Epsilon-cyclokallidin|Bradykinin, N2-L-lysyl-, cyclic (9-1)-peptide|2-[3-[(1S,7S,13S,16S,22S,25S,28S,35S,38S)-35-amino-13,25-dibenzyl-28-[3-(diaminomethylideneamino)propyl]-16-(hydroxymethyl)-2,8,11,14,17,23,26,29,36,39-decaoxo-3,9,12,15,18,24,27,30,37,40-decazatetracyclo[38.3.0.03,7.018,22]tritetracontan-38-yl]propyl]guanidine|Cyclo[L-Lys*-L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg-]|N'',N'''-{[(6S,9S,16S,19S,21aS,27S,30S,35aS,40aS)-9-Amino-19,30-dibenzyl-27-(hydroxymethyl)-5,8,15,18,21,26,29,32,35,40-decaoxooctatriacontahydro-1H,5H-tripyrrolo[1,2-d:1',2'-g:1'',2''-s][1,4,7,10,13,16,19,22,25,28]decaazacyclotetratriacontine-6,16-diyl]di(propane-3,1-diyl)}diguanidine|N-{3-[(1S,7S,13S,16S,22S,25S,28S,35S,38S)-35-amino-13,25-dibenzyl-38-(3-carbamimidamidopropyl)-16-(hydroxymethyl)-2,8,11,14,17,23,26,29,36,39-decaoxo-3,9,12,15,18,24,27,30,37,40-decaazatetracyclo[38.3.0.03,7.018,22]tritetracontan-28-yl]propyl}guanidine

Molecular Formula	C56H83N17O11
Molecular Weight	1169.6458 g/mol
LogP	-2.0
Topological Polar Surface Area	440.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	14
Rotatable Bonds	13
Exact Mass	1169.6458
Monoisotopic Mass	1169.6458
Heavy Atoms	84
Complexity	2340.0

Chemical Identifiers

CAS Number	75690-91-4
SMILES	C1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C1)N)CCCN=C(N)N)CC5=CC=CC=C5)CO)CC6=CC=CC=C6)CCCN=C(N)N
InChIKey	DKNFFRJVCYGULT-FSLKYBNLSA-N