His-His-Lys

Properties Image MNX_ID MNXM744742 reference chebi:164531 formula C18H28N8O4 global charge 0 mol weight 420.474 InChIKey AKAPKBNIVNPIPO-KKUMJFAQSA-N InChI InChI=1S/C18H28N8O4/c19-4-2-1-3-14(18(29)30)25-17(28)15(6-12-8-22-10-24-12)26-16(27)13(20)5-11-7-21-9-23-11/h7-10,13-15H,1-6,19-20H2,(H,21,23)(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1 SMILES NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H28N8O4/c19-4-2-1-3-14(18(29)30)25-17(28)15(6-12-8-22-10-24-12)26-16(27)13(20)5-11-7-21-9-23-11/h7-10,13-15H,1-6,19-20H2,(H,21,23)(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:4][NH2:19])[CH2:3][C@@H:14]([C:18](=[O:29])[OH:30])[N:25]=[C:17]([C@H:15]([CH2:6][C:12]1=[CH:8][N:22]=[CH:10][NH:24]1)[N:26]=[C:16]([C@H:13]([CH2:5][C:11]1=[CH:7][N:21]=[CH:9][NH:23]1)[NH2:20])[OH:27])[OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3