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CHEBI:99604 - N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:99604
ChEBI NameN-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
DownloadsMolfile
FormulaC28H27N3O7
Net Charge0
Average Mass517.538
Monoisotopic Mass517.18490
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccccn1
InChIInChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21+,25-,27-/m1/s1
InChIKeyFEEKZGTVSGSFLP-DBXGMPFESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:99604) is a furopyran (CHEBI:74927)
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