Relebactam (USAN)

Properties Image MNX_ID MNXM160814 reference keggD:D10726 formula C12H22N4O7S global charge 0 mol weight 366.396 InChIKey TWFRCSHLWKJBQH-FJYJDOHQSA-N InChI InChI=1S/C12H20N4O6S.H2O/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21;/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21);1H2/t9?,10-;/m1./s1 SMILES O.O=C(NC1CCNCC1)[C@H]1CCC2CN1C(=O)N2OS(=O)(=O)O MNX internals InChI (mnx) InChI=1/C12H20N4O6S.H2O/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21;/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21);1H2/t9?,10-;/m1./s1 SMILES (mnx) [CH2:1]1[CH2:2][C@H:10]([C:11](=[N:14][CH:8]2[CH2:3][CH2:5][NH:13][CH2:6][CH2:4]2)[OH:17])[N:15]2[CH2:7][CH:9]1[N:16]([O:22][S:23]([OH:19])(=[O:20])=[O:21])[C:12]2=[O:18].[OH2:24]

Parent-child relations graph

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