EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124241 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide

ChEBI IDCHEBI:124241
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide
Stars
DownloadsMolfile
FormulaC28H34F3N5O5S
Net Charge0
Average Mass609.671
Monoisotopic Mass609.22327
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H34F3N5O5S/c1-18-12-36(19(2)16-37)27(38)23-11-22(33-42(39,40)26-15-35(4)17-32-26)9-10-24(23)41-25(18)14-34(3)13-20-5-7-21(8-6-20)28(29,30)31/h5-11,15,17-19,25,33,37H,12-14,16H2,1-4H3/t18-,19+,25+/m1/s1
InChIKeyOSESVERSMLPQLU-WYEJZRMESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:124241) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35683LINCS