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CHEBI:128704 - (2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-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:128704
ChEBI Name(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-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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DownloadsMolfile
FormulaC28H35F3N4O3
Net Charge0
Average Mass532.607
Monoisotopic Mass532.26613
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc(C(F)(F)F)c2)Oc2ncc(C#CCN(C)C)cc2C1=O
InChIInChI=1S/C28H35F3N4O3/c1-19-15-35(20(2)18-36)27(37)24-13-21(9-7-11-33(3)4)14-32-26(24)38-25(19)17-34(5)16-22-8-6-10-23(12-22)28(29,30)31/h6,8,10,12-14,19-20,25,36H,11,15-18H2,1-5H3/t19-,20+,25-/m0/s1
InChIKeyIPKWQNPTBHBRBY-DFIYOIEZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-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:128704) is a (trifluoromethyl)benzenes (CHEBI:83565)
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