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CHEBI:97182 - 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

ChEBI IDCHEBI:97182
ChEBI Name2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC25H29F2N3O5
Net Charge0
Average Mass489.519
Monoisotopic Mass489.20753
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3cc(F)ccc3F)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19+,22-,25-/m0/s1
InChIKeyPTZKUMYBXIPSAJ-MZIKWEIESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:97182) is a amino acid amide (CHEBI:22475)
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