(6R,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173043 reference chebi:128316 formula C23H22N4O3 global charge 0 mol weight 402.454 InChIKey VCUIMTGMOAETOU-ONTIZHBOSA-N InChI InChI=1S/C23H22N4O3/c28-14-20-22(17-7-5-16(6-8-17)4-3-15-1-2-15)19-12-26(13-21(29)27(19)20)23(30)18-11-24-9-10-25-18/h5-11,15,19-20,22,28H,1-2,12-14H2/t19-,20-,22-/m0/s1 SMILES O=C(C1=NC=CN=C1)N1CC(=O)N2[C@@H](CO)[C@@H](C3=CC=C(C#CC4CC4)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C23H22N4O3/c28-14-20-22(17-7-5-16(6-8-17)4-3-15-1-2-15)19-12-26(13-21(29)27(19)20)23(30)18-11-24-9-10-25-18/h5-11,15,19-20,22,28H,1-2,12-14H2/t19-,20-,22-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH:15]1[C:3]#[C:4][C:16]1=[CH:6][CH:8]=[C:17]([C@H:22]2[C@@H:19]3[CH2:12][N:26]([C:23]([C:18]4=[N:25][CH:10]=[CH:9][N:24]=[CH:11]4)=[O:30])[CH2:13][C:21](=[O:29])[N:27]3[C@H:20]2[CH2:14][OH:28])[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