CHEBI:117343 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]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,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
ChEBI ID CHEBI:117343
Stars This entity has been manually annotated by a third party.
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Formula C26H37N3O5
Net Charge 0
Average Mass 471.590
Monoisotopic Mass 471.27332
InChI InChI=1S/C26H37N3O5/c30-16-23-26-21(14-19(33-23)15-24(31)27-8-11-29-9-2-1-3-10-29)20-13-18(6-7-22(20)34-26)28-25(32)12-17-4-5-17/h6-7,13,17,19,21,23,26,30H,1-5,8-12,14-16H2,(H,27,31)(H,28,32)/t19-,21+,23+,26-/m1/s1
InChIKey OSBPWUGUGZAKLO-HMMJVGNDSA-N
SMILES C1CCN(CC1)CCNC(=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,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117343) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-28792 LINCS
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