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CHEBI:110454 - N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:110454
ChEBI NameN-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC25H29N3O5
Net Charge0
Average Mass451.523
Monoisotopic Mass451.21072
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccnc1
InChIInChI=1S/C25H29N3O5/c29-14-22-25-20(10-18(32-22)11-23(30)27-13-16-2-1-7-26-12-16)19-9-17(5-6-21(19)33-25)28-24(31)8-15-3-4-15/h1-2,5-7,9,12,15,18,20,22,25,29H,3-4,8,10-11,13-14H2,(H,27,30)(H,28,31)/t18-,20+,22+,25-/m0/s1
InChIKeyMRXIFVFTBXIAKP-PMTIONAUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:110454) is a furopyran (CHEBI:74927)
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