Gln-Lys-Trp

Properties Image MNX_ID MNXM744709 reference chebi:162330 formula C22H32N6O5 global charge 0 mol weight 460.535 InChIKey AMHIFFIUJOJEKJ-SZMVWBNQSA-N InChI InChI=1S/C22H32N6O5/c23-10-4-3-7-17(27-20(30)15(24)8-9-19(25)29)21(31)28-18(22(32)33)11-13-12-26-16-6-2-1-5-14(13)16/h1-2,5-6,12,15,17-18,26H,3-4,7-11,23-24H2,(H2,25,29)(H,27,30)(H,28,31)(H,32,33)/t15-,17-,18-/m0/s1 SMILES NCCCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C22H32N6O5/c23-10-4-3-7-17(27-20(30)15(24)8-9-19(25)29)21(31)28-18(22(32)33)11-13-12-26-16-6-2-1-5-14(13)16/h1-2,5-6,12,15,17-18,26H,3-4,7-11,23-24H2,(H2,25,29)(H,27,30)(H,28,31)(H,32,33)/t15-,17-,18-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:16]2[C:14](=[CH:5]1)[C:13]([CH2:11][C@@H:18]([C:22](=[O:32])[OH:33])[N:28]=[C:21]([C@H:17]([CH2:7][CH2:3][CH2:4][CH2:10][NH2:23])[N:27]=[C:20]([C@H:15]([CH2:8][CH2:9][C:19](=[NH:25])[OH:29])[NH2:24])[OH:30])[OH:31])=[CH:12][NH:26]2

Parent-child relations graph

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