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CHEBI:99280 - N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

ChEBI IDCHEBI:99280
ChEBI NameN-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Stars
Last Modified7 September 2020
DownloadsMolfile
FormulaC26H29FN2O5
Net Charge0
Average Mass468.525
Monoisotopic Mass468.20605
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccc(F)c1
InChIInChI=1S/C26H29FN2O5/c27-17-6-1-3-15(9-17)13-28-24(31)12-19-11-21-20-10-18(29-26(32)16-4-2-5-16)7-8-22(20)34-25(21)23(14-30)33-19/h1,3,6-10,16,19,21,23,25,30H,2,4-5,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1
InChIKeyOPNBGVGHIKRRPP-PYTYSOFPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:99280) is a cyclobutanes (CHEBI:156473)
N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:99280) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
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