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CHEBI:124409 - 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

ChEBI IDCHEBI:124409
ChEBI Name4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
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DownloadsMolfile
FormulaC21H30F3N3O6S
Net Charge0
Average Mass509.547
Monoisotopic Mass509.18074
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C21H30F3N3O6S/c1-13-10-27(14(2)12-28)20(30)16-9-15(25-19(29)7-8-21(22,23)24)5-6-17(16)33-18(13)11-26(3)34(4,31)32/h5-6,9,13-14,18,28H,7-8,10-12H2,1-4H3,(H,25,29)/t13-,14-,18-/m0/s1
InChIKeyRPYQJFXBHGVNSS-DEYYWGMASA-N
ChEBI Ontology
Outgoing Relation(s)
4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:124409) is a aromatic amide (CHEBI:62733)
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