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CHEBI:124108 - N-[(2S,3S)-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]-2-phenylacetamide

ChEBI IDCHEBI:124108
ChEBI NameN-[(2S,3S)-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]-2-phenylacetamide
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DownloadsMolfile
FormulaC32H36F3N3O4
Net Charge0
Average Mass583.651
Monoisotopic Mass583.26579
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H36F3N3O4/c1-21-17-38(22(2)20-39)31(41)27-16-26(36-30(40)15-23-7-5-4-6-8-23)13-14-28(27)42-29(21)19-37(3)18-24-9-11-25(12-10-24)32(33,34)35/h4-14,16,21-22,29,39H,15,17-20H2,1-3H3,(H,36,40)/t21-,22-,29+/m0/s1
InChIKeyFBQLWMVPJOKXNU-IHMCZWCLSA-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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:124108) is a (trifluoromethyl)benzenes (CHEBI:83565)
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