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CHEBI:117426 - N-[(1S,3S,4aR,9aS)-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 IDCHEBI:117426
ChEBI NameN-[(1S,3S,4aR,9aS)-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
Stars
DownloadsMolfile
FormulaC26H37N3O5
Net Charge0
Average Mass471.598
Monoisotopic Mass471.27332
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCCN1CCCCC1
InChIInChI=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-/m0/s1
InChIKeyOSBPWUGUGZAKLO-OXPRRSNCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aR,9aS)-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:117426) is a furopyran (CHEBI:74927)
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