(6R,7S,8R)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173026 reference chebi:127990 formula C26H26N2O5 global charge 0 mol weight 446.503 InChIKey UAWVXLNJAFZMLT-WATLYSKOSA-N InChI InChI=1S/C26H26N2O5/c1-16(2)3-4-17-5-7-18(8-6-17)25-20-12-27(13-24(30)28(20)21(25)14-29)26(31)19-9-10-22-23(11-19)33-15-32-22/h5-11,16,20-21,25,29H,12-15H2,1-2H3/t20-,21-,25-/m0/s1 SMILES CC(C)C#CC1=CC=C([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4=CC5=C(C=C4)OCO5)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C26H26N2O5/c1-16(2)3-4-17-5-7-18(8-6-17)25-20-12-27(13-24(30)28(20)21(25)14-29)26(31)19-9-10-22-23(11-19)33-15-32-22/h5-11,16,20-21,25,29H,12-15H2,1-2H3/t20-,21-,25-/m0/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[C:3]#[C:4][C:17]1=[CH:6][CH:8]=[C:18]([C@H:25]2[C@@H:20]3[CH2:12][N:27]([C:26]([C:19]4=[CH:11][C:23]5=[C:22]([CH:10]=[CH:9]4)[O:32][CH2:15][O:33]5)=[O:31])[CH2:13][C:24](=[O:30])[N:28]3[C@H:21]2[CH2:14][OH:29])[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