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CHEBI:117306 - 2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide

ChEBI IDCHEBI:117306
ChEBI Name2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
Stars
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCC1
InChIInChI=1S/C26H31N3O5/c30-15-23-25-21(13-19(33-23)14-24(31)27-16-8-4-5-9-16)20-12-18(10-11-22(20)34-25)29-26(32)28-17-6-2-1-3-7-17/h1-3,6-7,10-12,16,19,21,23,25,30H,4-5,8-9,13-15H2,(H,27,31)(H2,28,29,32)/t19-,21+,23-,25-/m0/s1
InChIKeyMCJXNBRGFCMFNB-PYTYSOFPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide (CHEBI:117306) is a ureas (CHEBI:47857)
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