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CHEBI:101528 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide

ChEBI IDCHEBI:101528
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC27H28N4O5
Net Charge0
Average Mass488.544
Monoisotopic Mass488.20597
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1
InChIInChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22+,24+,27-/m1/s1
InChIKeyNURZYHIHZDJTSB-LQZFSELZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide (CHEBI:101528) is a furopyran (CHEBI:74927)
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