(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173282 reference chebi:130254 formula C14H17BrN2O4S global charge 0 mol weight 389.271 InChIKey CWJBQADCDQSGJH-DYEKYZERSA-N InChI InChI=1S/C14H17BrN2O4S/c1-22(20,21)16-6-11-14(9-2-4-10(15)5-3-9)12(8-18)17(11)13(19)7-16/h2-5,11-12,14,18H,6-8H2,1H3/t11-,12+,14+/m1/s1 SMILES CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](C1=CC=C(Br)C=C1)[C@@H]2CO MNX internals InChI (mnx) InChI=1/C14H17BrN2O4S/c1-22(20,21)16-6-11-14(9-2-4-10(15)5-3-9)12(8-18)17(11)13(19)7-16/h2-5,11-12,14,18H,6-8H2,1H3/t11-,12+,14+/m1/s1 SMILES (mnx) [CH3:1][S:22]([N:16]1[CH2:6][C@@H:11]2[C@H:14]([C:9]3=[CH:3][CH:5]=[C:10]([Br:15])[CH:4]=[CH:2]3)[C@H:12]([CH2:8][OH:18])[N:17]2[C:13](=[O:19])[CH2:7]1)(=[O:20])=[O:21]

Parent-child relations graph

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