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CHEBI:126541 - 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]-2-phenylacetamide

ChEBI IDCHEBI:126541
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]-2-phenylacetamide
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DownloadsMolfile
FormulaC33H38F3N3O4
Net Charge0
Average Mass597.678
Monoisotopic Mass597.28144
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C33H38F3N3O4/c1-22-18-39(23(2)21-40)32(42)17-26-16-28(37-31(41)15-24-7-5-4-6-8-24)13-14-29(26)43-30(22)20-38(3)19-25-9-11-27(12-10-25)33(34,35)36/h4-14,16,22-23,30,40H,15,17-21H2,1-3H3,(H,37,41)/t22-,23-,30+/m0/s1
InChIKeyXJOPVLQFFGEWNL-ZTNZZFSWSA-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]-2-phenylacetamide (CHEBI:126541) is a (trifluoromethyl)benzenes (CHEBI:83565)
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