(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173116 reference chebi:128253 formula C21H26N2O4 global charge 0 mol weight 370.449 InChIKey FLDRYXIAOMUSHG-UEXGIBASSA-N InChI InChI=1S/C21H26N2O4/c1-14(2)4-5-15-6-8-16(9-7-15)21-17-10-22(20(26)13-27-3)11-19(25)23(17)18(21)12-24/h6-9,14,17-18,21,24H,10-13H2,1-3H3/t17-,18+,21-/m0/s1 SMILES COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C#CC(C)C)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C21H26N2O4/c1-14(2)4-5-15-6-8-16(9-7-15)21-17-10-22(20(26)13-27-3)11-19(25)23(17)18(21)12-24/h6-9,14,17-18,21,24H,10-13H2,1-3H3/t17-,18+,21-/m0/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[C:4]#[C:5][C:15]1=[CH:7][CH:9]=[C:16]([C@H:21]2[C@@H:17]3[CH2:10][N:22]([C:20]([CH2:13][O:27][CH3:3])=[O:26])[CH2:11][C:19](=[O:25])[N:23]3[C@@H:18]2[CH2:12][OH:24])[CH:8]=[CH:6]1

Parent-child relations graph

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