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CHEBI:123060 - 2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

ChEBI IDCHEBI:123060
ChEBI Name2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
Stars
DownloadsMolfile
FormulaC24H28FN3O5
Net Charge0
Average Mass457.502
Monoisotopic Mass457.20130
SMILESCCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-17-11-19-18-10-16(7-8-20(18)33-23(19)21(13-29)32-17)28-24(31)27-15-5-3-14(25)4-6-15/h3-8,10,17,19,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t17-,19-,21+,23+/m1/s1
InChIKeyUMXSQZGGXDMCPL-YZBYQZESSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:123060) is a ureas (CHEBI:47857)
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