His-Lys-Val

Properties Image MNX_ID MNXM744747 reference chebi:164667 formula C17H30N6O4 global charge 0 mol weight 382.465 InChIKey TVMNTHXFRSXZGR-IHRRRGAJSA-N InChI InChI=1S/C17H30N6O4/c1-10(2)14(17(26)27)23-16(25)13(5-3-4-6-18)22-15(24)12(19)7-11-8-20-9-21-11/h8-10,12-14H,3-7,18-19H2,1-2H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t12-,13-,14-/m0/s1 SMILES CC(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/C17H30N6O4/c1-10(2)14(17(26)27)23-16(25)13(5-3-4-6-18)22-15(24)12(19)7-11-8-20-9-21-11/h8-10,12-14H,3-7,18-19H2,1-2H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][CH:10]([CH3:2])[C@@H:14]([C:17](=[O:26])[OH:27])[N:23]=[C:16]([C@H:13]([CH2:5][CH2:3][CH2:4][CH2:6][NH2:18])[N:22]=[C:15]([C@H:12]([CH2:7][C:11]1=[CH:8][N:20]=[CH:9][NH:21]1)[NH2:19])[OH:24])[OH:25]

Parent-child relations graph

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