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CHEBI:117362 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:117362
ChEBI NameN-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)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)NCc1ccncc1
InChIInChI=1S/C25H29N3O5/c29-14-22-25-20(11-18(32-22)12-23(30)27-13-16-5-7-26-8-6-16)19-10-17(3-4-21(19)33-25)28-24(31)9-15-1-2-15/h3-8,10,15,18,20,22,25,29H,1-2,9,11-14H2,(H,27,30)(H,28,31)/t18-,20+,22+,25-/m1/s1
InChIKeyMZEYKMYWBLWBBR-XOQZDTPSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117362) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
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