EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124706 - N-[(2S,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]-3,5-dimethyl-4-isoxazolesulfonamide

ChEBI IDCHEBI:124706
ChEBI NameN-[(2S,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]-3,5-dimethyl-4-isoxazolesulfonamide
Stars
DownloadsMolfile
FormulaC29H35F3N4O6S
Net Charge0
Average Mass624.682
Monoisotopic Mass624.22294
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2
InChIInChI=1S/C29H35F3N4O6S/c1-17-13-36(18(2)16-37)28(38)24-12-23(34-43(39,40)27-19(3)33-42-20(27)4)10-11-25(24)41-26(17)15-35(5)14-21-6-8-22(9-7-21)29(30,31)32/h6-12,17-18,26,34,37H,13-16H2,1-5H3/t17-,18+,26-/m1/s1
InChIKeyLUQPACJRHODOLX-FIAZIHOUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,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]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:124706) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-36148LINCS