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CHEBI:124406 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:124406
ChEBI NameN-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
Stars
DownloadsMolfile
FormulaC29H36F3N3O6
Net Charge0
Average Mass579.616
Monoisotopic Mass579.25562
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C29H36F3N3O6/c1-18-13-35(19(2)16-36)28(38)12-21-11-22(33-27(37)8-9-29(30,31)32)5-7-23(21)41-26(18)15-34(3)14-20-4-6-24-25(10-20)40-17-39-24/h4-7,10-11,18-19,26,36H,8-9,12-17H2,1-3H3,(H,33,37)/t18-,19-,26+/m0/s1
InChIKeyWAPFRLYSPHNVCE-LZJCXSABSA-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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide (CHEBI:124406) is a benzodioxoles (CHEBI:38298)
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