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CHEBI:123065 - N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:123065
ChEBI NameN-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
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DownloadsMolfile
FormulaC24H27N3O5
Net Charge0
Average Mass437.496
Monoisotopic Mass437.19507
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1
InChIInChI=1S/C24H27N3O5/c28-13-21-23-19(9-17(31-21)10-22(29)26-11-14-3-4-14)18-8-16(5-6-20(18)32-23)27-24(30)15-2-1-7-25-12-15/h1-2,5-8,12,14,17,19,21,23,28H,3-4,9-11,13H2,(H,26,29)(H,27,30)/t17-,19-,21+,23+/m0/s1
InChIKeyLGHYMYOTKHNHQJ-VARILPKDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:123065) is a furopyran (CHEBI:74927)
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