His-Lys-Ile

Properties Image MNX_ID MNXM744745 reference chebi:164647 formula C18H32N6O4 global charge 0 mol weight 396.492 InChIKey LDFWDDVELNOGII-MXAVVETBSA-N InChI InChI=1S/C18H32N6O4/c1-3-11(2)15(18(27)28)24-17(26)14(6-4-5-7-19)23-16(25)13(20)8-12-9-21-10-22-12/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/t11-,13-,14-,15-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H32N6O4/c1-3-11(2)15(18(27)28)24-17(26)14(6-4-5-7-19)23-16(25)13(20)8-12-9-21-10-22-12/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/t11-,13-,14-,15-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:15]([C:18](=[O:27])[OH:28])[N:24]=[C:17]([C@H:14]([CH2:6][CH2:4][CH2:5][CH2:7][NH2:19])[N:23]=[C:16]([C@H:13]([CH2:8][C:12]1=[CH:9][N:21]=[CH:10][NH:22]1)[NH2:20])[OH:25])[OH:26]

Parent-child relations graph

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