(indol-3-yl)acetyl-L-tryptophan

Properties Image MNX_ID MNXM18662 reference metacycM:CPD-11230 formula C21H18N3O3 global charge -1 mol weight 360.393 InChIKey FOSPCYZZRVNHJS-IBGZPJMESA-M InChI InChI=1S/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)/p-1/t19-/m0/s1 SMILES O=C(CC1=CNC2=CC=CC=C12)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27)/t19-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:17]2[C:15](=[CH:5]1)[C:13]([CH2:9][C@@H:19]([C:21](=[O:26])[OH:27])[N:24]=[C:20]([CH2:10][C:14]1=[CH:12][NH:23][C:18]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:16]13)[OH:25])=[CH:11][NH:22]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0