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

Properties Image MNX_ID MNXM171060 reference chebi:125719 formula C25H33N3O4S global charge 0 mol weight 471.623 InChIKey OLEULROXDBOBLY-SKPFHBQLSA-N InChI InChI=1S/C25H33N3O4S/c1-5-14-27(4)17-24-19(2)16-28(20(3)18-29)33(30,31)25-9-8-22(15-23(25)32-24)7-6-21-10-12-26-13-11-21/h8-13,15,19-20,24,29H,5,14,16-18H2,1-4H3/t19-,20-,24-/m0/s1 SMILES CCCN(C)C[C@@H]1OC2=C(C=CC(C#CC3=CC=NC=C3)=C2)S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C MNX internals InChI (mnx) InChI=1/C25H33N3O4S/c1-5-14-27(4)17-24-19(2)16-28(20(3)18-29)33(30,31)25-9-8-22(15-23(25)32-24)7-6-21-10-12-26-13-11-21/h8-13,15,19-20,24,29H,5,14,16-18H2,1-4H3/t19-,20-,24-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:14][N:27]([CH3:4])[CH2:17][C@H:24]1[C@@H:19]([CH3:2])[CH2:16][N:28]([C@@H:20]([CH3:3])[CH2:18][OH:29])[S:33](=[O:30])(=[O:31])[C:25]2=[C:23]([CH:15]=[C:22]([C:7]#[C:6][C:21]3=[CH:11][CH:13]=[N:26][CH:12]=[CH:10]3)[CH:8]=[CH:9]2)[O:32]1

Parent-child relations graph

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