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CHEBI:118476 - 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester

ChEBI IDCHEBI:118476
ChEBI Name2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
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DownloadsMolfile
FormulaC17H21F3N2O5
Net Charge0
Average Mass390.358
Monoisotopic Mass390.14026
SMILESCOC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1
InChIInChI=1S/C17H21F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-5,12-14,23H,6-9H2,1H3,(H2,21,22,25)/t12-,13-,14-/m1/s1
InChIKeyHFDKIVHAHGCNSH-MGPQQGTHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester (CHEBI:118476) is a C-glycosyl compound (CHEBI:20857)
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