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CHEBI:117532 - 2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:117532
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC28H35N3O6
Net Charge0
Average Mass509.603
Monoisotopic Mass509.25259
SMILESCOc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C28H35N3O6/c1-35-23-9-5-2-6-17(23)15-29-26(33)14-20-13-22-21-12-19(31-28(34)30-18-7-3-4-8-18)10-11-24(21)37-27(22)25(16-32)36-20/h2,5-6,9-12,18,20,22,25,27,32H,3-4,7-8,13-16H2,1H3,(H,29,33)(H2,30,31,34)/t20-,22+,25-,27-/m1/s1
InChIKeyDFSRPXMSRAMRJF-IIKILRQQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:117532) is a furopyran (CHEBI:74927)
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