EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:127853 - (2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:127853
ChEBI Name(2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
Stars
DownloadsMolfile
FormulaC26H34N2O4S
Net Charge0
Average Mass470.635
Monoisotopic Mass470.22393
SMILESCCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C26H34N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-11-22-9-7-6-8-10-22/h6-10,13-14,16,20-21,25,29H,5,15,17-19H2,1-4H3/t20-,21+,25+/m0/s1
InChIKeyKSPMYNSTGYPJSZ-BPYKYCOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127853) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-39409LINCS