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

Properties Image MNX_ID MNXM170965 reference chebi:95885 formula C26H37N3O5S global charge 0 mol weight 503.665 InChIKey IXCMNLOSFSWDKI-RNHFSVANSA-N InChI InChI=1S/C26H37N3O5S/c1-19-15-29(20(2)18-30)35(31,32)26-7-6-22(23-5-4-10-27-14-23)13-24(26)34-25(19)17-28(3)16-21-8-11-33-12-9-21/h4-7,10,13-14,19-21,25,30H,8-9,11-12,15-18H2,1-3H3/t19-,20+,25+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)C2=C(C=C(C3=CN=CC=C3)C=C2)O[C@H]1CN(C)CC1CCOCC1 MNX internals InChI (mnx) InChI=1/C26H37N3O5S/c1-19-15-29(20(2)18-30)35(31,32)26-7-6-22(23-5-4-10-27-14-23)13-24(26)34-25(19)17-28(3)16-21-8-11-33-12-9-21/h4-7,10,13-14,19-21,25,30H,8-9,11-12,15-18H2,1-3H3/t19-,20+,25+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:15][N:29]([C@@H:20]([CH3:2])[CH2:18][OH:30])[S:35](=[O:31])(=[O:32])[C:26]2=[C:24]([CH:13]=[C:22]([C:23]3=[CH:14][N:27]=[CH:10][CH:4]=[CH:5]3)[CH:6]=[CH:7]2)[O:34][C@H:25]1[CH2:17][N:28]([CH3:3])[CH2:16][CH:21]1[CH2:8][CH2:11][O:33][CH2:12][CH2:9]1

Parent-child relations graph

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