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CHEBI:110325 - N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:110325
ChEBI NameN-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC26H29FN2O5
Net Charge0
Average Mass468.525
Monoisotopic Mass468.20605
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccc(F)c1
InChIInChI=1S/C26H29FN2O5/c27-17-3-1-2-16(8-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-4-5-15)6-7-22(20)34-26(21)23(14-30)33-19/h1-3,6-8,10,15,19,21,23,26,30H,4-5,9,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23-,26+/m0/s1
InChIKeyXOEUNFVLCGVFNC-MDJJAXGLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:110325) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
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