Met-His-His

Properties Image MNX_ID MNXM1123380 reference chebi:160781 formula C17H25N7O4S global charge 0 mol weight 423.499 InChIKey RXWPLVRJQNWXRQ-IHRRRGAJSA-N InChI InChI=1S/C17H25N7O4S/c1-29-3-2-12(18)15(25)23-13(4-10-6-19-8-21-10)16(26)24-14(17(27)28)5-11-7-20-9-22-11/h6-9,12-14H,2-5,18H2,1H3,(H,19,21)(H,20,22)(H,23,25)(H,24,26)(H,27,28)/t12-,13-,14-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C17H25N7O4S/c1-29-3-2-12(18)15(25)23-13(4-10-6-19-8-21-10)16(26)24-14(17(27)28)5-11-7-20-9-22-11/h6-9,12-14H,2-5,18H2,1H3,(H,19,21)(H,20,22)(H,23,25)(H,24,26)(H,27,28)/t12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][S:29][CH2:3][CH2:2][C@@H:12]([C:15](=[N:23][C@@H:13]([CH2:4][C:10]1=[CH:6][N:19]=[CH:8][NH:21]1)[C:16](=[N:24][C@@H:14]([CH2:5][C:11]1=[CH:7][N:20]=[CH:9][NH:22]1)[C:17](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:18]

Parent-child relations graph

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