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CHEBI:97498 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide

ChEBI IDCHEBI:97498
ChEBI NameN-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
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DownloadsMolfile
FormulaC28H34N2O6
Net Charge0
Average Mass494.588
Monoisotopic Mass494.24169
SMILESC[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1
InChIInChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23+,25+,27-/m0/s1
InChIKeyISBRQPNQXSURAN-KCFOJUKOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide (CHEBI:97498) is a furopyran (CHEBI:74927)
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