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CHEBI:103013 - 1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea

ChEBI IDCHEBI:103013
ChEBI Name1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea
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DownloadsMolfile
FormulaC25H35N3O5
Net Charge0
Average Mass457.571
Monoisotopic Mass457.25767
SMILESO=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2)NC1CCCC1
InChIInChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m0/s1
InChIKeyGFIPGJIGSRXJBU-YCYVKTGYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea (CHEBI:103013) is a furopyran (CHEBI:74927)
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