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

Properties Image MNX_ID MNXM173151 reference chebi:128507 formula C29H25FN2O4 global charge 0 mol weight 484.527 InChIKey UHEZHVIWXIFSSE-FULLSBAXSA-N InChI InChI=1S/C29H25FN2O4/c1-36-24-14-6-20(7-15-24)3-2-19-4-8-21(9-5-19)28-25-16-31(17-27(34)32(25)26(28)18-33)29(35)22-10-12-23(30)13-11-22/h4-15,25-26,28,33H,16-18H2,1H3/t25-,26+,28-/m1/s1 SMILES COC1=CC=C(C#CC2=CC=C([C@@H]3[C@H]4CN(C(=O)C5=CC=C(F)C=C5)CC(=O)N4[C@H]3CO)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C29H25FN2O4/c1-36-24-14-6-20(7-15-24)3-2-19-4-8-21(9-5-19)28-25-16-31(17-27(34)32(25)26(28)18-33)29(35)22-10-12-23(30)13-11-22/h4-15,25-26,28,33H,16-18H2,1H3/t25-,26+,28-/m1/s1 SMILES (mnx) [CH3:1][O:36][C:24]1=[CH:15][CH:7]=[C:20]([C:3]#[C:2][C:19]2=[CH:5][CH:9]=[C:21]([C@@H:28]3[C@H:25]4[CH2:16][N:31]([C:29]([C:22]5=[CH:11][CH:13]=[C:23]([F:30])[CH:12]=[CH:10]5)=[O:35])[CH2:17][C:27](=[O:34])[N:32]4[C@H:26]3[CH2:18][OH:33])[CH:8]=[CH:4]2)[CH:6]=[CH:14]1

Parent-child relations graph

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