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CHEBI:102616 - 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

ChEBI IDCHEBI:102616
ChEBI Name2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC29H27ClF3N3O5
Net Charge0
Average Mass589.998
Monoisotopic Mass589.15913
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1
InChIInChI=1S/C29H27ClF3N3O5/c30-18-5-1-16(2-6-18)14-34-26(38)13-21-12-23-22-11-20(9-10-24(22)41-27(23)25(15-37)40-21)36-28(39)35-19-7-3-17(4-8-19)29(31,32)33/h1-11,21,23,25,27,37H,12-15H2,(H,34,38)(H2,35,36,39)/t21-,23-,25+,27+/m0/s1
InChIKeyQUFPSNAFNYGAMM-JZEPBHRJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:102616) is a ureas (CHEBI:47857)
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