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

Properties Image MNX_ID MNXM173277 reference chebi:129259 formula C24H30N2O4 global charge 0 mol weight 410.514 InChIKey KDYLLPKCSGYBGM-GIWBLDEGSA-N InChI InChI=1S/C24H30N2O4/c1-30-13-5-6-17-9-11-18(12-10-17)23-20-14-25(15-22(28)26(20)21(23)16-27)24(29)19-7-3-2-4-8-19/h9-12,19-21,23,27H,2-4,7-8,13-16H2,1H3/t20-,21+,23+/m1/s1 SMILES COCC#CC1=CC=C([C@H]2[C@H]3CN(C(=O)C4CCCCC4)CC(=O)N3[C@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/C24H30N2O4/c1-30-13-5-6-17-9-11-18(12-10-17)23-20-14-25(15-22(28)26(20)21(23)16-27)24(29)19-7-3-2-4-8-19/h9-12,19-21,23,27H,2-4,7-8,13-16H2,1H3/t20-,21+,23+/m1/s1 SMILES (mnx) [CH3:1][O:30][CH2:13][C:5]#[C:6][C:17]1=[CH:10][CH:12]=[C:18]([C@H:23]2[C@H:20]3[CH2:14][N:25]([C:24]([CH:19]4[CH2:7][CH2:3][CH2:2][CH2:4][CH2:8]4)=[O:29])[CH2:15][C:22](=[O:28])[N:26]3[C@H:21]2[CH2:16][OH:27])[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