(6R,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173076 reference chebi:126050 formula C26H25FN2O3 global charge 0 mol weight 432.495 InChIKey KVYFFHXHDYUNDP-ZEVJAHDQSA-N InChI InChI=1S/C26H25FN2O3/c27-21-3-1-2-18(12-21)5-4-17-8-10-20(11-9-17)26-22-14-28(24(31)13-19-6-7-19)15-25(32)29(22)23(26)16-30/h1-3,8-12,19,22-23,26,30H,6-7,13-16H2/t22-,23+,26-/m0/s1 SMILES O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C#CC4=CC(F)=CC=C4)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C26H25FN2O3/c27-21-3-1-2-18(12-21)5-4-17-8-10-20(11-9-17)26-22-14-28(24(31)13-19-6-7-19)15-25(32)29(22)23(26)16-30/h1-3,8-12,19,22-23,26,30H,6-7,13-16H2/t22-,23+,26-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:18]([C:5]#[C:4][C:17]2=[CH:9][CH:11]=[C:20]([C@H:26]3[C@@H:22]4[CH2:14][N:28]([C:24]([CH2:13][CH:19]5[CH2:6][CH2:7]5)=[O:31])[CH2:15][C:25](=[O:32])[N:29]4[C@@H:23]3[CH2:16][OH:30])[CH:10]=[CH:8]2)=[CH:12][C:21]([F:27])=[CH:3]1

Parent-child relations graph

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