(8R,9S,10S)-9-[4-(2-fluorophenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Properties Image MNX_ID MNXM173694 reference chebi:129372 formula C29H32FN3O3 global charge 0 mol weight 489.591 InChIKey RFUZVCVZMIURGH-IARZGTGTSA-N InChI InChI=1S/C29H32FN3O3/c1-36-23-14-12-22(13-15-23)31-29(35)32-16-4-5-17-33-26(18-32)28(27(33)19-34)21-10-8-20(9-11-21)24-6-2-3-7-25(24)30/h2-3,6-15,26-28,34H,4-5,16-19H2,1H3,(H,31,35)/t26-,27+,28-/m0/s1 SMILES COC1=CC=C(NC(=O)N2CCCCN3[C@H](CO)[C@@H](C4=CC=C(C5=CC=CC=C5F)C=C4)[C@@H]3C2)C=C1 MNX internals InChI (mnx) InChI=1/C29H32FN3O3/c1-36-23-14-12-22(13-15-23)31-29(35)32-16-4-5-17-33-26(18-32)28(27(33)19-34)21-10-8-20(9-11-21)24-6-2-3-7-25(24)30/h2-3,6-15,26-28,34H,4-5,16-19H2,1H3,(H,31,35)/t26-,27+,28-/m0/s1 SMILES (mnx) [CH3:1][O:36][C:23]1=[CH:15][CH:13]=[C:22]([NH:31][C:29]([N:32]2[CH2:16][CH2:4][CH2:5][CH2:17][N:33]3[C@@H:26]([CH2:18]2)[C@H:28]([C:21]2=[CH:11][CH:9]=[C:20]([C:24]4=[CH:6][CH:2]=[CH:3][CH:7]=[C:25]4[F:30])[CH:8]=[CH:10]2)[C@H:27]3[CH2:19][OH:34])=[O:35])[CH:12]=[CH:14]1

Parent-child relations graph

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