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CHEBI:117394 - 2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:117394
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC25H28FN3O5
Net Charge0
Average Mass469.513
Monoisotopic Mass469.20130
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1
InChIInChI=1S/C25H28FN3O5/c26-19-3-1-2-4-20(19)29-25(32)28-15-7-8-21-17(9-15)18-10-16(33-22(13-30)24(18)34-21)11-23(31)27-12-14-5-6-14/h1-4,7-9,14,16,18,22,24,30H,5-6,10-13H2,(H,27,31)(H2,28,29,32)/t16-,18+,22+,24-/m1/s1
InChIKeyHFXZOAOZNJYYEY-CXJARPSQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:117394) is a ureas (CHEBI:47857)
Manual XrefsDatabases
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