(2S)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

Properties Image MNX_ID MNXM171075 reference chebi:103681 formula C24H38N2O4S global charge 0 mol weight 450.645 InChIKey GQEOHDGNFBZEER-YDHSSHFGSA-N InChI InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19-,23-/m0/s1 SMILES CCCN(C)C[C@@H]1OC2=C(C=CC(C3=CCCCC3)=C2)S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19-,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:13][N:25]([CH3:4])[CH2:16][C@H:23]1[C@@H:18]([CH3:2])[CH2:15][N:26]([C@@H:19]([CH3:3])[CH2:17][OH:27])[S:31](=[O:28])(=[O:29])[C:24]2=[C:22]([CH:14]=[C:21]([C:20]3=[CH:9][CH2:7][CH2:6][CH2:8][CH2:10]3)[CH:11]=[CH:12]2)[O:30]1

Parent-child relations graph

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