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CHEBI:101274 - 2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

ChEBI IDCHEBI:101274
ChEBI Name2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
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DownloadsMolfile
FormulaC24H23F3N2O6
Net Charge0
Average Mass492.450
Monoisotopic Mass492.15082
SMILESCN1C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21
InChIInChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18+,20+/m0/s1
InChIKeyMPULVBUDJGIXBK-ILZDJORESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:101274) is a (trifluoromethyl)benzenes (CHEBI:83565)
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