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CHEBI:124191 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide

ChEBI IDCHEBI:124191
ChEBI NameN-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide
Stars
DownloadsMolfile
FormulaC29H35F3N4O6S
Net Charge0
Average Mass624.682
Monoisotopic Mass624.22294
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc2c1O[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C29H35F3N4O6S/c1-17-13-36(18(2)16-37)28(38)23-7-6-8-24(34-43(39,40)27-19(3)33-42-20(27)4)26(23)41-25(17)15-35(5)14-21-9-11-22(12-10-21)29(30,31)32/h6-12,17-18,25,34,37H,13-16H2,1-5H3/t17-,18+,25-/m0/s1
InChIKeyPTCOJZLCRJVKMK-ATLLOTDBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:124191) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35633LINCS