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CHEBI:129998 - 2-[(1S,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-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:129998
ChEBI Name2-[(1S,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-(cyclopropylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC26H28F3N3O5
Net Charge0
Average Mass519.520
Monoisotopic Mass519.19811
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)NCC1CC1
InChIInChI=1S/C26H28F3N3O5/c27-26(28,29)15-3-5-16(6-4-15)31-25(35)32-17-7-8-21-19(9-17)20-10-18(36-22(13-33)24(20)37-21)11-23(34)30-12-14-1-2-14/h3-9,14,18,20,22,24,33H,1-2,10-13H2,(H,30,34)(H2,31,32,35)/t18-,20-,22-,24+/m0/s1
InChIKeyPOZMERGFKROZOJ-UYLMIGBBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,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-(cyclopropylmethyl)acetamide (CHEBI:129998) is a ureas (CHEBI:47857)
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