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CHEBI:98500 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide

ChEBI IDCHEBI:98500
ChEBI Name2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)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-YIPBLFEHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CHEBI:98500) is a furopyran (CHEBI:74927)
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LSM-9879LINCS