Talabostat mesylate (USAN)

Properties Image MNX_ID MNXM161397 reference keggD:D05990 formula C10H23BN2O6S global charge 0 mol weight 310.181 InChIKey OXYYOEIGQRXGPI-WSZWBAFRSA-N InChI InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1 SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O.CS(=O)(=O)O MNX internals InChI (mnx) InChI=1/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1 SMILES (mnx) [CH3:16][S:20]([OH:17])(=[O:18])=[O:19].[CH3:1][CH:6]([CH3:2])[C@@H:8]([C:9]([N:12]1[CH2:5][CH2:3][CH2:4][C@H:7]1[B:10]([OH:14])[OH:15])=[O:13])[NH2:11]

Parent-child relations graph

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