CHEBI:110433 - 2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide

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ChEBI Name 2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
ChEBI ID CHEBI:110433
Stars This entity has been manually annotated by a third party.
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Formula C25H30N2O6S
Net Charge 0
Average Mass 486.583
Monoisotopic Mass 486.18246
InChI InChI=1S/C25H30N2O6S/c28-15-23-25-21(13-18(32-23)14-24(29)26-16-6-4-5-7-16)20-12-17(10-11-22(20)33-25)27-34(30,31)19-8-2-1-3-9-19/h1-3,8-12,16,18,21,23,25,27-28H,4-7,13-15H2,(H,26,29)/t18-,21+,23+,25-/m0/s1
InChIKey LRZRSLNOFHOUJI-PFJUQGFLSA-N
SMILES C1CCC(C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5
ChEBI Ontology
Outgoing 2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide (CHEBI:110433) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-21880 LINCS
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