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

Properties Image MNX_ID MNXM171006 reference chebi:96098 formula C26H36N4O4S global charge 0 mol weight 500.665 InChIKey HVNBSBCCDAKDPU-CZSZKKDXSA-N InChI InChI=1S/C26H36N4O4S/c1-20-16-30(21(2)19-31)35(32,33)26-9-8-22(7-6-14-28(3)4)15-24(26)34-25(20)18-29(5)17-23-10-12-27-13-11-23/h8-13,15,20-21,25,31H,14,16-19H2,1-5H3/t20-,21+,25+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)C2=C(C=C(C#CCN(C)C)C=C2)O[C@H]1CN(C)CC1=CC=NC=C1 MNX internals InChI (mnx) InChI=1/C26H36N4O4S/c1-20-16-30(21(2)19-31)35(32,33)26-9-8-22(7-6-14-28(3)4)15-24(26)34-25(20)18-29(5)17-23-10-12-27-13-11-23/h8-13,15,20-21,25,31H,14,16-19H2,1-5H3/t20-,21+,25+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:16][N:30]([C@@H:21]([CH3:2])[CH2:19][OH:31])[S:35](=[O:32])(=[O:33])[C:26]2=[C:24]([CH:15]=[C:22]([C:7]#[C:6][CH2:14][N:28]([CH3:3])[CH3:4])[CH:8]=[CH:9]2)[O:34][C@H:25]1[CH2:18][N:29]([CH3:5])[CH2:17][C:23]1=[CH:11][CH:13]=[N:27][CH:12]=[CH:10]1

Parent-child relations graph

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