imipenem hydrate

Properties Image MNX_ID MNXM156763 reference chebi:51799 formula C12H19N3O5S global charge 0 mol weight 317.367 InChIKey GSOSVVULSKVSLQ-JJVRHELESA-N InChI InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1 SMILES C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O MNX internals InChI (mnx) InChI=1/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1 SMILES (mnx) [CH3:1][C@H:6]([C@@H:9]1[C@H:7]2[CH2:4][C:8]([S:20][CH2:3][CH2:2][NH:14][CH:5]=[NH:13])=[C:10]([C:12](=[O:18])[OH:19])[N:15]2[C:11]1=[O:17])[OH:16].[OH2:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0