Trp-Lys-Ala

Properties Image MNX_ID MNXM1127329 reference chebi:164752 formula C20H29N5O4 global charge 0 mol weight 403.483 InChIKey NLLARHRWSFNEMH-NUTKFTJISA-N InChI InChI=1S/C20H29N5O4/c1-12(20(28)29)24-19(27)17(8-4-5-9-21)25-18(26)15(22)10-13-11-23-16-7-3-2-6-14(13)16/h2-3,6-7,11-12,15,17,23H,4-5,8-10,21-22H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t12-,15-,17-/m0/s1 SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O MNX internals InChI (mnx) InChI=1/C20H29N5O4/c1-12(20(28)29)24-19(27)17(8-4-5-9-21)25-18(26)15(22)10-13-11-23-16-7-3-2-6-14(13)16/h2-3,6-7,11-12,15,17,23H,4-5,8-10,21-22H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t12-,15-,17-/m0/s1 SMILES (mnx) [CH3:1][C@@H:12]([C:20](=[O:28])[OH:29])[N:24]=[C:19]([C@H:17]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:21])[N:25]=[C:18]([C@H:15]([CH2:10][C:13]1=[CH:11][NH:23][C:16]2=[CH:7][CH:3]=[CH:2][CH:6]=[C:14]12)[NH2:22])[OH:26])[OH:27]

Parent-child relations graph

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