Gln-His-Lys

Properties Image MNX_ID MNXM744707 reference chebi:162200 formula C17H29N7O5 global charge 0 mol weight 411.463 InChIKey NNXIQPMZGZUFJJ-AVGNSLFASA-N InChI InChI=1S/C17H29N7O5/c18-6-2-1-3-12(17(28)29)23-16(27)13(7-10-8-21-9-22-10)24-15(26)11(19)4-5-14(20)25/h8-9,11-13H,1-7,18-19H2,(H2,20,25)(H,21,22)(H,23,27)(H,24,26)(H,28,29)/t11-,12-,13-/m0/s1 SMILES NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C17H29N7O5/c18-6-2-1-3-12(17(28)29)23-16(27)13(7-10-8-21-9-22-10)24-15(26)11(19)4-5-14(20)25/h8-9,11-13H,1-7,18-19H2,(H2,20,25)(H,21,22)(H,23,27)(H,24,26)(H,28,29)/t11-,12-,13-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][CH2:6][NH2:18])[CH2:3][C@@H:12]([C:17](=[O:28])[OH:29])[N:23]=[C:16]([C@H:13]([CH2:7][C:10]1=[CH:8][N:21]=[CH:9][NH:22]1)[N:24]=[C:15]([C@H:11]([CH2:4][CH2:5][C:14](=[NH:20])[OH:25])[NH2:19])[OH:26])[OH:27]

Parent-child relations graph

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