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CHEBI:96712 - (2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96712
ChEBI Name(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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FormulaC23H28F3N3O3
Net Charge0
Average Mass451.489
Monoisotopic Mass451.20828
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc(C(F)(F)F)c2)Oc2ncccc2C1=O
InChIInChI=1S/C23H28F3N3O3/c1-15-11-29(16(2)14-30)22(31)19-8-5-9-27-21(19)32-20(15)13-28(3)12-17-6-4-7-18(10-17)23(24,25)26/h4-10,15-16,20,30H,11-14H2,1-3H3/t15-,16+,20-/m0/s1
InChIKeyXBEPEKYUPLRUNJ-YRNRMSPPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96712) is a (trifluoromethyl)benzenes (CHEBI:83565)
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