(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

Properties Image MNX_ID MNXM172909 reference chebi:126037 formula C21H24N2O4S global charge 0 mol weight 400.5 InChIKey IMRBVWRRZLZKRA-IRFCIJBXSA-N InChI InChI=1S/C21H24N2O4S/c1-14-5-3-4-6-17(14)15-7-9-16(10-8-15)21-18-11-22(28(2,26)27)12-20(25)23(18)19(21)13-24/h3-10,18-19,21,24H,11-13H2,1-2H3/t18-,19-,21+/m0/s1 SMILES CC1=CC=CC=C1C1=CC=C([C@H]2[C@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)C=C1 MNX internals InChI (mnx) InChI=1/C21H24N2O4S/c1-14-5-3-4-6-17(14)15-7-9-16(10-8-15)21-18-11-22(28(2,26)27)12-20(25)23(18)19(21)13-24/h3-10,18-19,21,24H,11-13H2,1-2H3/t18-,19-,21+/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:17]1[C:15]1=[CH:8][CH:10]=[C:16]([C@@H:21]2[C@@H:18]3[CH2:11][N:22]([S:28]([CH3:2])(=[O:26])=[O:27])[CH2:12][C:20](=[O:25])[N:23]3[C@H:19]2[CH2:13][OH:24])[CH:9]=[CH:7]1

Parent-child relations graph

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