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

Properties Image MNX_ID MNXM173342 reference chebi:127116 formula C26H27FN2O3 global charge 0 mol weight 434.511 InChIKey VMZNVRZPRJWEKA-OYRHQHFDSA-N InChI InChI=1S/C26H27FN2O3/c1-17(2)5-3-6-18-9-11-19(12-10-18)25-22-14-28(15-24(31)29(22)23(25)16-30)26(32)20-7-4-8-21(27)13-20/h4,7-13,17,22-23,25,30H,5,14-16H2,1-2H3/t22-,23-,25+/m1/s1 SMILES CC(C)CC#CC1=CC=C([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4=CC(F)=CC=C4)C[C@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C26H27FN2O3/c1-17(2)5-3-6-18-9-11-19(12-10-18)25-22-14-28(15-24(31)29(22)23(25)16-30)26(32)20-7-4-8-21(27)13-20/h4,7-13,17,22-23,25,30H,5,14-16H2,1-2H3/t22-,23-,25+/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH2:5][C:3]#[C:6][C:18]1=[CH:10][CH:12]=[C:19]([C@H:25]2[C@H:22]3[CH2:14][N:28]([C:26]([C:20]4=[CH:13][C:21]([F:27])=[CH:8][CH:4]=[CH:7]4)=[O:32])[CH2:15][C:24](=[O:31])[N:29]3[C@@H:23]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