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CHEBI:98765 - 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

ChEBI IDCHEBI:98765
ChEBI Name2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
Stars
DownloadsMolfile
FormulaC17H19F3N2O5
Net Charge0
Average Mass388.342
Monoisotopic Mass388.12461
SMILESCOC(=O)C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1
InChIInChI=1S/C17H19F3N2O5/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/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13+,14-/m0/s1
InChIKeyPYGNPVIZRZQEAZ-MJBXVCDLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester (CHEBI:98765) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-10144LINCS