Met-Lys-His

Properties Image MNX_ID MNXM1123500 reference chebi:160901 formula C17H30N6O4S global charge 0 mol weight 414.532 InChIKey UFOWQBYMUILSRK-IHRRRGAJSA-N InChI InChI=1S/C17H30N6O4S/c1-28-7-5-12(19)15(24)22-13(4-2-3-6-18)16(25)23-14(17(26)27)8-11-9-20-10-21-11/h9-10,12-14H,2-8,18-19H2,1H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t12-,13-,14-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C17H30N6O4S/c1-28-7-5-12(19)15(24)22-13(4-2-3-6-18)16(25)23-14(17(26)27)8-11-9-20-10-21-11/h9-10,12-14H,2-8,18-19H2,1H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][S:28][CH2:7][CH2:5][C@@H:12]([C:15](=[N:22][C@@H:13]([CH2:4][CH2:2][CH2:3][CH2:6][NH2:18])[C:16](=[N:23][C@@H:14]([CH2:8][C:11]1=[CH:9][N:20]=[CH:10][NH:21]1)[C:17](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:19]

Parent-child relations graph

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