(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Properties Image MNX_ID MNXM173354 reference chebi:126903 formula C21H22BrN3O4 global charge 0 mol weight 460.328 InChIKey MDIYKUMEFYKWKI-GGPKGHCWSA-N InChI InChI=1S/C21H22BrN3O4/c1-29-16-8-6-15(7-9-16)23-21(28)24-10-17-20(13-2-4-14(22)5-3-13)18(12-26)25(17)19(27)11-24/h2-9,17-18,20,26H,10-12H2,1H3,(H,23,28)/t17-,18-,20+/m1/s1 SMILES COC1=CC=C(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](C4=CC=C(Br)C=C4)[C@H]3C2)C=C1 MNX internals InChI (mnx) InChI=1/C21H22BrN3O4/c1-29-16-8-6-15(7-9-16)23-21(28)24-10-17-20(13-2-4-14(22)5-3-13)18(12-26)25(17)19(27)11-24/h2-9,17-18,20,26H,10-12H2,1H3,(H,23,28)/t17-,18-,20+/m1/s1 SMILES (mnx) [CH3:1][O:29][C:16]1=[CH:9][CH:7]=[C:15]([NH:23][C:21]([N:24]2[CH2:10][C@@H:17]3[C@H:20]([C:13]4=[CH:3][CH:5]=[C:14]([Br:22])[CH:4]=[CH:2]4)[C@@H:18]([CH2:12][OH:26])[N:25]3[C:19](=[O:27])[CH2:11]2)=[O:28])[CH:6]=[CH:8]1

Parent-child relations graph

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