N-Acetyl-L-tyrosine methyl ester

Properties Image MNX_ID MNXM168476 reference sabiorkM:29203 formula C12H15NO4 global charge 0 mol weight 237.255 InChIKey KRMVXLWZDYZILN-UHFFFAOYSA-N InChI InChI=1S/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14) SMILES COC(=O)C(CC1=CC=C(O)C=C1)N=C(C)O MNX internals InChI (mnx) InChI=1/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14)/t11? SMILES (mnx) [CH3:1][C:8](=[N:13][CH:11]([CH2:7][C:9]1=[CH:4][CH:6]=[C:10]([OH:15])[CH:5]=[CH:3]1)[C:12](=[O:16])[O:17][CH3:2])[OH:14]

Parent-child relations graph

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