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CHEBI:100274 - N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:100274
ChEBI NameN-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC28H29N3O5
Net Charge0
Average Mass487.556
Monoisotopic Mass487.21072
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1
InChIInChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)30-12-10-18-5-2-1-3-6-18)22-13-20(8-9-24(22)36-27)31-28(34)19-7-4-11-29-16-19/h1-9,11,13,16,21,23,25,27,32H,10,12,14-15,17H2,(H,30,33)(H,31,34)/t21-,23-,25+,27+/m0/s1
InChIKeyZFEMWODPVTXMHX-JZEPBHRJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:100274) is a furopyran (CHEBI:74927)
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