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

Properties Image MNX_ID MNXM173096 reference chebi:128773 formula C23H30N2O4S global charge 0 mol weight 430.57 InChIKey CGCMBOVQMWYHMO-XJUOHMSHSA-N InChI InChI=1S/C23H30N2O4S/c1-2-30(28,29)24-14-20-23(21(16-26)25(20)22(27)15-24)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,17,20-21,23,26H,2-7,14-16H2,1H3/t20-,21+,23-/m0/s1 SMILES CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](C3=CC=C(C#CC4CCCCC4)C=C3)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C23H30N2O4S/c1-2-30(28,29)24-14-20-23(21(16-26)25(20)22(27)15-24)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,17,20-21,23,26H,2-7,14-16H2,1H3/t20-,21+,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][S:30]([N:24]1[CH2:14][C@H:20]2[C@H:23]([C:19]3=[CH:13][CH:11]=[C:18]([C:9]#[C:8][CH:17]4[CH2:6][CH2:4][CH2:3][CH2:5][CH2:7]4)[CH:10]=[CH:12]3)[C@@H:21]([CH2:16][OH:26])[N:25]2[C:22](=[O:27])[CH2:15]1)(=[O:28])=[O:29]

Parent-child relations graph

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