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

Properties Image MNX_ID MNXM170986 reference chebi:127919 formula C22H34N2O4S global charge 0 mol weight 422.591 InChIKey GXGOFMFIUNYHNH-WWMYMODYSA-N InChI InChI=1S/C22H34N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h8,10-12,16-17,21,25H,5-7,9,13-15H2,1-4H3/t16-,17+,21+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)C2=C(C=C(C3=CCCCC3)C=C2)O[C@H]1CN(C)C MNX internals InChI (mnx) InChI=1/C22H34N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h8,10-12,16-17,21,25H,5-7,9,13-15H2,1-4H3/t16-,17+,21+/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:13][N:24]([C@@H:17]([CH3:2])[CH2:15][OH:25])[S:29](=[O:26])(=[O:27])[C:22]2=[C:20]([CH:12]=[C:19]([C:18]3=[CH:8][CH2:6][CH2:5][CH2:7][CH2:9]3)[CH:10]=[CH:11]2)[O:28][C@H:21]1[CH2:14][N:23]([CH3:3])[CH3:4]

Parent-child relations graph

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