(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM172916 reference chebi:127296 formula C25H27N3O3 global charge 0 mol weight 417.509 InChIKey PXGCQOQEEDCUOW-WPFOTENUSA-N InChI InChI=1S/C25H27N3O3/c1-17(2)6-5-7-18-9-11-19(12-10-18)24-21-14-27(15-23(30)28(21)22(24)16-29)25(31)20-8-3-4-13-26-20/h3-4,8-13,17,21-22,24,29H,6,14-16H2,1-2H3/t21-,22-,24+/m0/s1 SMILES CC(C)CC#CC1=CC=C([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4=CC=CC=N4)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C25H27N3O3/c1-17(2)6-5-7-18-9-11-19(12-10-18)24-21-14-27(15-23(30)28(21)22(24)16-29)25(31)20-8-3-4-13-26-20/h3-4,8-13,17,21-22,24,29H,6,14-16H2,1-2H3/t21-,22-,24+/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH2:6][C:5]#[C:7][C:18]1=[CH:10][CH:12]=[C:19]([C@@H:24]2[C@@H:21]3[CH2:14][N:27]([C:25]([C:20]4=[CH:8][CH:3]=[CH:4][CH:13]=[N:26]4)=[O:31])[CH2:15][C:23](=[O:30])[N:28]3[C@H:22]2[CH2:16][OH:29])[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