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CHEBI:99039 - 2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide

ChEBI IDCHEBI:99039
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
Stars
DownloadsMolfile
FormulaC27H32FN3O5
Net Charge0
Average Mass497.567
Monoisotopic Mass497.23260
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1
InChIInChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20+,24-,26-/m1/s1
InChIKeyGAKFIKLLFOVZGV-DJKZJWHWSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide (CHEBI:99039) is a ureas (CHEBI:47857)
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