CHEBI:102245 - 2-[(3S,6aS,8S,10aS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide

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ChEBI Name 2-[(3S,6aS,8S,10aS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide
ChEBI ID CHEBI:102245
Stars This entity has been manually annotated by a third party.
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Formula C24H32N2O7
Net Charge 0
Average Mass 460.521
Monoisotopic Mass 460.22095
InChI InChI=1S/C24H32N2O7/c27-17-11-26(24(29)15-5-8-20-21(9-15)32-14-31-20)19-7-6-18(33-22(19)13-30-12-17)10-23(28)25-16-3-1-2-4-16/h5,8-9,16-19,22,27H,1-4,6-7,10-14H2,(H,25,28)/t17-,18-,19-,22+/m0/s1
InChIKey JZHWTQAESVMWQB-ZVVDCOBXSA-N
SMILES C1CCC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O
ChEBI Ontology
Outgoing 2-[(3S,6aS,8S,10aS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide (CHEBI:102245) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
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