(6R,7R,8S)-7-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM172982 reference chebi:129903 formula C25H26FN3O3 global charge 0 mol weight 435.499 InChIKey HABPCLIMXOARHP-WMTXJRDZSA-N InChI InChI=1S/C25H26FN3O3/c1-27(2)13-3-4-17-5-7-18(8-6-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)19-9-11-20(26)12-10-19/h5-12,21-22,24,30H,13-16H2,1-2H3/t21-,22+,24+/m0/s1 SMILES CN(C)CC#CC1=CC=C([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4=CC=C(F)C=C4)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C25H26FN3O3/c1-27(2)13-3-4-17-5-7-18(8-6-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)19-9-11-20(26)12-10-19/h5-12,21-22,24,30H,13-16H2,1-2H3/t21-,22+,24+/m0/s1 SMILES (mnx) [CH3:1][N:27]([CH3:2])[CH2:13][C:3]#[C:4][C:17]1=[CH:6][CH:8]=[C:18]([C@@H:24]2[C@@H:21]3[CH2:14][N:28]([C:25]([C:19]4=[CH:10][CH:12]=[C:20]([F:26])[CH:11]=[CH:9]4)=[O:32])[CH2:15][C:23](=[O:31])[N:29]3[C@@H:22]2[CH2:16][OH:30])[CH:7]=[CH:5]1

Parent-child relations graph

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