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CHEBI:113847 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:113847
ChEBI NameN-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-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]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
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-DPOKWSEZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:113847) is a benzodioxoles (CHEBI:38298)
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