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CHEBI:122953 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:122953
ChEBI Name2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
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DownloadsMolfile
FormulaC25H29N3O5
Net Charge0
Average Mass451.523
Monoisotopic Mass451.21072
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1
InChIInChI=1S/C25H29N3O5/c29-14-22-25-20(11-18(32-22)12-23(30)27-13-16-1-2-16)19-10-17(3-4-21(19)33-25)28-24(31)9-15-5-7-26-8-6-15/h3-8,10,16,18,20,22,25,29H,1-2,9,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22+,25+/m1/s1
InChIKeyVGFNAMSCNMBZFO-NARIEAHCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:122953) is a furopyran (CHEBI:74927)
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