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CHEBI:97934 - 2-[(1R,3S,4aR,9aS)-6-(cyclohexylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

ChEBI IDCHEBI:97934
ChEBI Name2-[(1R,3S,4aR,9aS)-6-(cyclohexylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
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DownloadsMolfile
FormulaC29H37N3O5
Net Charge0
Average Mass507.631
Monoisotopic Mass507.27332
SMILESC[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1
InChIInChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22-,24+,26+,28-/m0/s1
InChIKeyCGDALBMFLMENHX-FUICHHCXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-6-(cyclohexylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:97934) is a furopyran (CHEBI:74927)
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