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CHEBI:117329 - N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:117329
ChEBI NameN-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC26H28F2N2O5
Net Charge0
Average Mass486.515
Monoisotopic Mass486.19663
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F
InChIInChI=1S/C26H28F2N2O5/c27-16-3-5-21(28)15(8-16)12-29-24(32)11-18-10-20-19-9-17(30-25(33)7-14-1-2-14)4-6-22(19)35-26(20)23(13-31)34-18/h3-6,8-9,14,18,20,23,26,31H,1-2,7,10-13H2,(H,29,32)(H,30,33)/t18-,20-,23-,26+/m1/s1
InChIKeyUWAUWNPQHFTMFN-SNMOHMLRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117329) is a furopyran (CHEBI:74927)
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