CHEBI:102411 - 1-[(1R,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]-3-cyclopentylurea

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ChEBI Name 1-[(1R,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]-3-cyclopentylurea
ChEBI ID CHEBI:102411
Stars This entity has been manually annotated by a third party.
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Formula C25H35N3O5
Net Charge 0
Average Mass 457.563
Monoisotopic Mass 457.25767
InChI InChI=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+/m1/s1
InChIKey GFIPGJIGSRXJBU-YWWGLXIYSA-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)NC5CCCC5
ChEBI Ontology
Outgoing 1-[(1R,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]-3-cyclopentylurea (CHEBI:102411) is a furopyran (CHEBI:74927)
Manual Xref Database
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