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CHEBI:127791 - N-[(2R,3R,4aS,6S,8aS)-2-[2-[4-(1-cyclohexenyl)phenyl]ethyl]-6-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]-2-(dimethylamino)acetamide

ChEBI IDCHEBI:127791
ChEBI NameN-[(2R,3R,4aS,6S,8aS)-2-[2-[4-(1-cyclohexenyl)phenyl]ethyl]-6-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]-2-(dimethylamino)acetamide
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DownloadsMolfile
FormulaC27H40N2O4
Net Charge0
Average Mass456.627
Monoisotopic Mass456.29881
SMILESCN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCCC2)cc1
InChIInChI=1S/C27H40N2O4/c1-29(2)17-27(31)28-23-16-26-25(15-13-22(18-30)32-26)33-24(23)14-10-19-8-11-21(12-9-19)20-6-4-3-5-7-20/h6,8-9,11-12,22-26,30H,3-5,7,10,13-18H2,1-2H3,(H,28,31)/t22-,23+,24+,25-,26-/m0/s1
InChIKeyAKKDINSUGWCESY-ZLILOBPGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4aS,6S,8aS)-2-[2-[4-(1-cyclohexenyl)phenyl]ethyl]-6-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl]-2-(dimethylamino)acetamide (CHEBI:127791) is a amino acid amide (CHEBI:22475)
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