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CHEBI:97339 - 2-[(1R,3R,4aR,9aS)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-propylacetamide

ChEBI IDCHEBI:97339
ChEBI Name2-[(1R,3R,4aR,9aS)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-propylacetamide
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DownloadsMolfile
FormulaC24H28FN3O5
Net Charge0
Average Mass457.502
Monoisotopic Mass457.20130
SMILESCCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17-,21-,23+/m1/s1
InChIKeyKFOACEMMMUKWEO-AMZDVIMWSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-propylacetamide (CHEBI:97339) is a ureas (CHEBI:47857)
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