N-Acetyl-L-phenylalanine methyl ester

Properties Image MNX_ID MNXM168473 reference sabiorkM:29198 formula C12H15NO3 global charge 0 mol weight 221.256 InChIKey IKGHIFGXPVLPFD-NSHDSACASA-N InChI InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1 SMILES COC(=O)[C@H](CC1=CC=CC=C1)N=C(C)O MNX internals InChI (mnx) InChI=1/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1 SMILES (mnx) [CH3:1][C:9](=[N:13][C@@H:11]([CH2:8][C:10]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:12](=[O:15])[O:16][CH3:2])[OH:14]

Parent-child relations graph

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