Methyldopa (USP)

Properties Image MNX_ID MNXM157917 reference keggD:D00405 formula C20H32N2O11 global charge 0 mol weight 476.479 InChIKey YKFCISHFRZHKHY-NGQGLHOPSA-N InChI InChI=1S/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1 SMILES C[C@](N)(CC1=CC(O)=C(O)C=C1)C(=O)O.C[C@](N)(CC1=CC(O)=C(O)C=C1)C(=O)O.O.O.O MNX internals InChI (mnx) InChI=1/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1 SMILES (mnx) [CH3:16][C@:25]([CH2:20][C:21]1=[CH:19][C:23]([OH:28])=[C:22]([OH:27])[CH:18]=[CH:17]1)([C:24](=[O:29])[OH:30])[NH2:26].[CH3:1][C@:10]([CH2:5][C:6]1=[CH:4][C:8]([OH:13])=[C:7]([OH:12])[CH:3]=[CH:2]1)([C:9](=[O:14])[OH:15])[NH2:11].[OH2:31].[OH2:32].[OH2:33]

Parent-child relations graph

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