(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

Properties Image MNX_ID MNXM150752 reference chebi:184344 formula C15H14INO7S global charge 0 mol weight 479.248 InChIKey HPQMRLCNKPMUJD-CYBMUJFWSA-N InChI InChI=1S/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/t13-/m1/s1 SMILES N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(=O)(=O)O)C=C2)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/t13-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:10]([O:23][C:11]2=[CH:8][C:12]([I:16])=[C:14]([O:24][S:25]([OH:20])(=[O:21])=[O:22])[CH:6]=[CH:5]2)=[CH:4][CH:2]=[C:9]1[CH2:7][C@H:13]([C:15](=[O:18])[OH:19])[NH2:17]

Parent-child relations graph

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