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CHEBI:106273 - (2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:106273
ChEBI Name(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC30H31F3N4O3
Net Charge0
Average Mass552.597
Monoisotopic Mass552.23483
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ncc(C#Cc3ccc(C(F)(F)F)cc3)cc2C1=O
InChIInChI=1S/C30H31F3N4O3/c1-20-16-37(21(2)19-38)29(39)26-14-24(5-4-22-6-8-25(9-7-22)30(31,32)33)15-35-28(26)40-27(20)18-36(3)17-23-10-12-34-13-11-23/h6-15,20-21,27,38H,16-19H2,1-3H3/t20-,21+,27-/m0/s1
InChIKeyGZQNINDEOIICFU-ISCCLHIJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106273) is a (trifluoromethyl)benzenes (CHEBI:83565)
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