(2R,3S,2'S)-nadolol

Properties Image MNX_ID MNXM30870 reference chebi:60922 formula C17H27NO4 global charge 0 mol weight 309.406 InChIKey VWPOSFSPZNDTMJ-CFVMTHIKSA-N InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15-/m0/s1 SMILES CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2 MNX internals InChI (mnx) InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15-/m0/s1 SMILES (mnx) [CH3:1][C:17]([CH3:2])([CH3:3])[NH:18][CH2:9][C@@H:12]([CH2:10][O:22][C:16]1=[CH:6][CH:4]=[CH:5][C:11]2=[C:13]1[CH2:8][C@H:15]([OH:21])[C@H:14]([OH:20])[CH2:7]2)[OH:19]

Parent-child relations graph

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