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CHEBI:99004 - N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:99004
ChEBI NameN-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC26H31N3O6
Net Charge0
Average Mass481.549
Monoisotopic Mass481.22129
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cccnc1
InChIInChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m1/s1
InChIKeyUAPJRYKULVRBJS-RIPRBREISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:99004) is a furopyran (CHEBI:74927)
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