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CHEBI:127922 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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:127922
ChEBI NameN-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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
FormulaC27H32Cl2F3N3O4
Net Charge0
Average Mass590.470
Monoisotopic Mass589.17220
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H32Cl2F3N3O4/c1-16-12-35(17(2)15-36)26(38)20-11-19(33-25(37)8-9-27(30,31)32)5-7-23(20)39-24(16)14-34(3)13-18-4-6-21(28)22(29)10-18/h4-7,10-11,16-17,24,36H,8-9,12-15H2,1-3H3,(H,33,37)/t16-,17-,24-/m1/s1
InChIKeyWYNCONGFJQZCFS-HOZJOUCCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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:127922) is a dichlorobenzene (CHEBI:23697)
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