CHEBI:117577 - N-[(1S,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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ChEBI Name N-[(1S,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 ID CHEBI:117577
Stars This entity has been manually annotated by a third party.
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Formula C25H34N2O5
Net Charge 0
Average Mass 442.549
Monoisotopic Mass 442.24677
InChI InChI=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
InChIKey IZLHCVQHHLSMHG-NARIEAHCSA-N
SMILES C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
ChEBI Ontology
Outgoing N-[(1S,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:117577) is a furopyran (CHEBI:74927)
Manual Xref Database
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