EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:103763 - (2R)-2-[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:103763
ChEBI Name(2R)-2-[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
Stars
DownloadsMolfile
FormulaC26H40N2O4S
Net Charge0
Average Mass476.683
Monoisotopic Mass476.27088
SMILESCCCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C26H40N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-8-11-22-9-6-7-10-22/h13-14,16,20-22,25,29H,5-7,9-11,15,17-19H2,1-4H3/t20-,21+,25-/m0/s1
InChIKeyLJUASEIATGHWBE-BKSPAHHJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:103763) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-15107LINCS