(6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM173286 reference chebi:130401 formula C25H33N3O4 global charge 0 mol weight 439.556 InChIKey PUBLBQUEMOUDCU-SLSDLSHTSA-N InChI InChI=1S/C25H33N3O4/c29-17-22-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)21-14-27(16-24(31)28(21)22)23(30)15-26-10-12-32-13-11-26/h4,6-9,21-22,25,29H,1-3,5,10-17H2/t21-,22+,25+/m1/s1 SMILES O=C(CN1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](C1=CC=C(C3=CCCCC3)C=C1)[C@@H]2CO MNX internals InChI (mnx) InChI=1/C25H33N3O4/c29-17-22-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)21-14-27(16-24(31)28(21)22)23(30)15-26-10-12-32-13-11-26/h4,6-9,21-22,25,29H,1-3,5,10-17H2/t21-,22+,25+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH:4]=[C:18]([C:19]2=[CH:7][CH:9]=[C:20]([C@H:25]3[C@H:21]4[CH2:14][N:27]([C:23]([CH2:15][N:26]5[CH2:10][CH2:12][O:32][CH2:13][CH2:11]5)=[O:30])[CH2:16][C:24](=[O:31])[N:28]4[C@H:22]3[CH2:17][OH:29])[CH:8]=[CH:6]2)[CH2:5][CH2:3]1

Parent-child relations graph

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