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CHEBI:123874 - N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:123874
ChEBI NameN-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
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DownloadsMolfile
FormulaC28H34F3N3O6
Net Charge0
Average Mass565.589
Monoisotopic Mass565.23997
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
InChIInChI=1S/C28H34F3N3O6/c1-17-12-34(18(2)15-35)27(37)21-11-20(32-26(36)8-9-28(29,30)31)5-7-22(21)40-25(17)14-33(3)13-19-4-6-23-24(10-19)39-16-38-23/h4-7,10-11,17-18,25,35H,8-9,12-16H2,1-3H3,(H,32,36)/t17-,18+,25-/m0/s1
InChIKeyIMDFAXAHWGRKQV-ATLLOTDBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:123874) is a benzodioxoles (CHEBI:38298)
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