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

Properties Image MNX_ID MNXM18658 reference metacycM:CPD-11227 formula C16H19N2O3 global charge -1 mol weight 287.339 InChIKey WPTUQMUCTTVOFW-BONVTDFDSA-M InChI InChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t10-,15-/m0/s1 SMILES CC[C@H](C)[C@H](NC(=O)CC1=CNC2=CC=CC=C12)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/t10-,15-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:10]([CH3:2])[C@@H:15]([C:16](=[O:20])[OH:21])[N:18]=[C:14]([CH2:8][C:11]1=[CH:9][NH:17][C:13]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:12]12)[OH:19]

Parent-child relations graph

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