1-[(8R,9R,10S)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone

Properties Image MNX_ID MNXM340690 reference chebi:126762 formula C21H30BrN3O3 global charge 0 mol weight 452.393 InChIKey KXKKPFBBPZKNMX-QKNQBKEWSA-N InChI InChI=1S/C21H30BrN3O3/c22-17-5-3-16(4-6-17)21-18-13-24(7-1-2-8-25(18)19(21)15-26)20(27)14-23-9-11-28-12-10-23/h3-6,18-19,21,26H,1-2,7-15H2/t18-,19+,21+/m0/s1 SMILES O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](C3=CC=C(Br)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C21H30BrN3O3/c22-17-5-3-16(4-6-17)21-18-13-24(7-1-2-8-25(18)19(21)15-26)20(27)14-23-9-11-28-12-10-23/h3-6,18-19,21,26H,1-2,7-15H2/t18-,19+,21+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:8][N:25]2[C@@H:18]([CH2:13][N:24]([C:20]([CH2:14][N:23]3[CH2:9][CH2:11][O:28][CH2:12][CH2:10]3)=[O:27])[CH2:7]1)[C@@H:21]([C:16]1=[CH:4][CH:6]=[C:17]([Br:22])[CH:5]=[CH:3]1)[C@H:19]2[CH2:15][OH:26]

Parent-child relations graph

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