LL-dityrosine

Properties Image MNX_ID MNXM60284 reference chebi:50609 formula C18H20N2O6 global charge 0 mol weight 360.366 InChIKey OQALFHMKVSJFRR-KBPBESRZSA-N InChI InChI=1S/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)/t13-,14-/m0/s1 SMILES N[C@@H](CC1=CC(C2=C(O)C=CC(C[C@H](N)C(=O)O)=C2)=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)/t13-,14-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:15]([OH:21])=[C:11]([C:12]2=[C:16]([OH:22])[CH:4]=[CH:2][C:10]([CH2:8][C@@H:14]([C:18](=[O:25])[OH:26])[NH2:20])=[CH:6]2)[CH:5]=[C:9]1[CH2:7][C@@H:13]([C:17](=[O:23])[OH:24])[NH2:19]

Parent-child relations graph

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