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

Properties Image MNX_ID MNXM173050 reference chebi:129298 formula C22H28N2O4S global charge 0 mol weight 416.543 InChIKey ZSUKBHXIWPHONU-ONTIZHBOSA-N InChI InChI=1S/C22H28N2O4S/c1-29(27,28)23-13-19-22(20(15-25)24(19)21(26)14-23)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,13-15H2,1H3/t19-,20-,22-/m0/s1 SMILES CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](C3=CC=C(C#CCC4CCCC4)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C22H28N2O4S/c1-29(27,28)23-13-19-22(20(15-25)24(19)21(26)14-23)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,13-15H2,1H3/t19-,20-,22-/m0/s1 SMILES (mnx) [CH3:1][S:29]([N:23]1[CH2:13][C@H:19]2[C@H:22]([C:18]3=[CH:12][CH:10]=[C:17]([C:8]#[C:4][CH2:7][CH:16]4[CH2:5][CH2:2][CH2:3][CH2:6]4)[CH:9]=[CH:11]3)[C@H:20]([CH2:15][OH:25])[N:24]2[C:21](=[O:26])[CH2:14]1)(=[O:27])=[O:28]

Parent-child relations graph

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