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

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ChEBI Name 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 ID CHEBI:117472
Stars This entity has been manually annotated by a third party.
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Formula C24H32N2O5
Net Charge 0
Average Mass 428.522
Monoisotopic Mass 428.23112
InChI InChI=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
InChIKey LQLAETCVZWZFIB-GOSIJUEPSA-N
SMILES C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
ChEBI Ontology
Outgoing 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)
Manual Xref Database
LSM-28921 LINCS
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