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CHEBI:117472 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:117472
ChEBI NameN-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC24H32N2O5
Net Charge0
Average Mass428.529
Monoisotopic Mass428.23112
SMILESO=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C24H32N2O5/c27-14-21-24-19(12-17(30-21)13-23(29)26-8-2-1-3-9-26)18-11-16(6-7-20(18)31-24)25-22(28)10-15-4-5-15/h6-7,11,15,17,19,21,24,27H,1-5,8-10,12-14H2,(H,25,28)/t17-,19-,21+,24+/m1/s1
InChIKeyLQLAETCVZWZFIB-GOSIJUEPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117472) is a furopyran (CHEBI:74927)
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