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CHEBI:124560 - N-[(2S,3R)-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-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124560
ChEBI NameN-[(2S,3R)-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-8-yl]cyclopropanecarboxamide
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DownloadsMolfile
FormulaC28H34F3N3O4
Net Charge0
Average Mass533.591
Monoisotopic Mass533.25014
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H34F3N3O4/c1-17-13-34(18(2)16-35)27(37)23-12-22(32-26(36)20-6-7-20)10-11-24(23)38-25(17)15-33(3)14-19-4-8-21(9-5-19)28(29,30)31/h4-5,8-12,17-18,20,25,35H,6-7,13-16H2,1-3H3,(H,32,36)/t17-,18-,25-/m1/s1
InChIKeyYADZZZBEYSXVSQ-QJMRKGMQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-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-8-yl]cyclopropanecarboxamide (CHEBI:124560) is a (trifluoromethyl)benzenes (CHEBI:83565)
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