(6R,7R,8S)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Properties Image MNX_ID MNXM173008 reference chebi:127493 formula C25H26FN3O3 global charge 0 mol weight 435.499 InChIKey UCBYLLYLADIOJP-WMTXJRDZSA-N InChI InChI=1S/C25H26FN3O3/c1-2-3-4-6-17-9-11-18(12-10-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)27-20-8-5-7-19(26)13-20/h5,7-13,21-22,24,30H,2-3,14-16H2,1H3,(H,27,32)/t21-,22+,24+/m0/s1 SMILES CCCC#CC1=CC=C([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4=CC(F)=CC=C4)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C25H26FN3O3/c1-2-3-4-6-17-9-11-18(12-10-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)27-20-8-5-7-19(26)13-20/h5,7-13,21-22,24,30H,2-3,14-16H2,1H3,(H,27,32)/t21-,22+,24+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][C:4]#[C:6][C:17]1=[CH:10][CH:12]=[C:18]([C@@H:24]2[C@@H:21]3[CH2:14][N:28]([C:25](=[N:27][C:20]4=[CH:8][CH:5]=[CH:7][C:19]([F:26])=[CH:13]4)[OH:32])[CH2:15][C:23](=[O:31])[N:29]3[C@@H:22]2[CH2:16][OH:30])[CH:11]=[CH:9]1

Parent-child relations graph

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