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CHEBI:124147 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124147
ChEBI NameN-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
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DownloadsMolfile
FormulaC29H36F3N3O4
Net Charge0
Average Mass547.618
Monoisotopic Mass547.26579
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H36F3N3O4/c1-18-14-35(19(2)17-36)27(37)13-22-12-24(33-28(38)21-6-7-21)10-11-25(22)39-26(18)16-34(3)15-20-4-8-23(9-5-20)29(30,31)32/h4-5,8-12,18-19,21,26,36H,6-7,13-17H2,1-3H3,(H,33,38)/t18-,19-,26+/m0/s1
InChIKeyVAUKKURHXVQXPV-LZJCXSABSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:124147) is a (trifluoromethyl)benzenes (CHEBI:83565)
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