Trp-Gln-Glu

Properties Image MNX_ID MNXM1127187 reference chebi:164606 formula C21H27N5O7 global charge 0 mol weight 461.475 InChIKey VTHNLRXALGUDBS-BPUTZDHNSA-N InChI InChI=1S/C21H27N5O7/c22-13(9-11-10-24-14-4-2-1-3-12(11)14)19(30)25-15(5-7-17(23)27)20(31)26-16(21(32)33)6-8-18(28)29/h1-4,10,13,15-16,24H,5-9,22H2,(H2,23,27)(H,25,30)(H,26,31)(H,28,29)(H,32,33)/t13-,15-,16-/m0/s1 SMILES NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C21H27N5O7/c22-13(9-11-10-24-14-4-2-1-3-12(11)14)19(30)25-15(5-7-17(23)27)20(31)26-16(21(32)33)6-8-18(28)29/h1-4,10,13,15-16,24H,5-9,22H2,(H2,23,27)(H,25,30)(H,26,31)(H,28,29)(H,32,33)/t13-,15-,16-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14]2[C:12](=[CH:3]1)[C:11]([CH2:9][C@@H:13]([C:19](=[N:25][C@@H:15]([CH2:5][CH2:7][C:17](=[NH:23])[OH:27])[C:20](=[N:26][C@@H:16]([CH2:6][CH2:8][C:18](=[O:28])[OH:29])[C:21](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:22])=[CH:10][NH:24]2

Parent-child relations graph

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