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CHEBI:117308 - N-[(1R,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:117308
ChEBI NameN-[(1R,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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DownloadsMolfile
FormulaC25H34N2O5
Net Charge0
Average Mass442.556
Monoisotopic Mass442.24677
SMILESO=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C25H34N2O5/c28-14-22-25-20(12-18(31-22)13-24(30)26-16-4-2-1-3-5-16)19-11-17(8-9-21(19)32-25)27-23(29)10-15-6-7-15/h8-9,11,15-16,18,20,22,25,28H,1-7,10,12-14H2,(H,26,30)(H,27,29)/t18-,20-,22-,25+/m1/s1
InChIKeyIZLHCVQHHLSMHG-HWZPKBPFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117308) is a furopyran (CHEBI:74927)
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