N-Acetylvanilalanine

Properties Image MNX_ID MNXM63589 reference chebi:88403 formula C12H15NO5 global charge 0 mol weight 253.254 InChIKey UKDKTHYZLXZOSS-UHFFFAOYSA-N InChI InChI=1S/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17) SMILES COC1=CC(CC(NC(C)=O)C(=O)O)=CC=C1O MNX internals InChI (mnx) InChI=1/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)/t9? SMILES (mnx) [CH3:1][C:7](=[N:13][CH:9]([CH2:5][C:8]1=[CH:6][C:11]([O:18][CH3:2])=[C:10]([OH:15])[CH:4]=[CH:3]1)[C:12](=[O:16])[OH:17])[OH:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 4