Histidyl-Lysyl-Alanine

Properties Image MNX_ID MNXM744743 reference biggM:hislysala formula C15H27N6O4 global charge 1 mol weight 355.419 InChIKey PGRPSOUCWRBWKZ-JLLWLGSASA-O InChI InChI=1S/C15H26N6O4/c1-9(15(24)25)20-14(23)12(4-2-3-5-16)21-13(22)11(17)6-10-7-18-8-19-10/h7-9,11-12H,2-6,16-17H2,1H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/p+1/t9-,11-,12+/m1/s1 SMILES C[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)CC1=CNC=N1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H26N6O4/c1-9(15(24)25)20-14(23)12(4-2-3-5-16)21-13(22)11(17)6-10-7-18-8-19-10/h7-9,11-12H,2-6,16-17H2,1H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t9-,11-,12+/m1/s1 SMILES (mnx) [CH3:1][C@H:9]([C:15](=[O:24])[OH:25])[N:20]=[C:14]([C@H:12]([CH2:4][CH2:2][CH2:3][CH2:5][NH2:16])[N:21]=[C:13]([C@@H:11]([CH2:6][C:10]1=[CH:7][N:18]=[CH:8][NH:19]1)[NH2:17])[OH:22])[OH:23]

Parent-child relations graph

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