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CHEBI:127667 - 2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

ChEBI IDCHEBI:127667
ChEBI Name2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC25H25F3N2O6
Net Charge0
Average Mass506.477
Monoisotopic Mass506.16647
SMILESCOC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C)O1
InChIInChI=1S/C25H25F3N2O6/c1-30-19-9-8-17(12-22(31)34-2)36-21(19)13-35-20-10-7-16(11-18(20)24(30)33)29-23(32)14-3-5-15(6-4-14)25(26,27)28/h3-7,10-11,17,19,21H,8-9,12-13H2,1-2H3,(H,29,32)/t17-,19+,21+/m0/s1
InChIKeyIHFHUJYSWKNBRD-FBBABVLZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:127667) is a (trifluoromethyl)benzenes (CHEBI:83565)
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