CHEBI:101791 - 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester

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ChEBI Name 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
ChEBI ID CHEBI:101791
Stars This entity has been manually annotated by a third party.
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Formula C17H19F3N2O5
Net Charge 0
Average Mass 388.339
Monoisotopic Mass 388.12461
InChI InChI=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
InChIKey PYGNPVIZRZQEAZ-IHRRRGAJSA-N
SMILES COC(=O)C[C@@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
ChEBI Ontology
Outgoing 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester (CHEBI:101791) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13153 LINCS
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