(8R,9S,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Properties Image MNX_ID MNXM173689 reference chebi:129322 formula C27H33FN4O2 global charge 0 mol weight 464.585 InChIKey UHSGINZYOHEQBA-GSDHBNRESA-N InChI InChI=1S/C27H33FN4O2/c1-30(2)15-7-8-20-11-13-21(14-12-20)26-24-18-31(16-5-6-17-32(24)25(26)19-33)27(34)29-23-10-4-3-9-22(23)28/h3-4,9-14,24-26,33H,5-6,15-19H2,1-2H3,(H,29,34)/t24-,25-,26-/m0/s1 SMILES CN(C)CC#CC1=CC=C([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4=CC=CC=C4F)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C27H33FN4O2/c1-30(2)15-7-8-20-11-13-21(14-12-20)26-24-18-31(16-5-6-17-32(24)25(26)19-33)27(34)29-23-10-4-3-9-22(23)28/h3-4,9-14,24-26,33H,5-6,15-19H2,1-2H3,(H,29,34)/t24-,25-,26-/m0/s1 SMILES (mnx) [CH3:1][N:30]([CH3:2])[CH2:15][C:7]#[C:8][C:20]1=[CH:12][CH:14]=[C:21]([C@H:26]2[C@@H:24]3[CH2:18][N:31]([C:27](=[N:29][C:23]4=[CH:10][CH:4]=[CH:3][CH:9]=[C:22]4[F:28])[OH:34])[CH2:16][CH2:5][CH2:6][CH2:17][N:32]3[C@H:25]2[CH2:19][OH:33])[CH:13]=[CH:11]1

Parent-child relations graph

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