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CHEBI:99390 - 2-[(1S,3R,4aR,9aS)-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-(1-piperidinyl)ethyl]acetamide

ChEBI IDCHEBI:99390
ChEBI Name2-[(1S,3R,4aR,9aS)-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-(1-piperidinyl)ethyl]acetamide
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DownloadsMolfile
FormulaC28H36N4O5
Net Charge0
Average Mass508.619
Monoisotopic Mass508.26857
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1)NCCN1CCCCC1
InChIInChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23-,25+,28+/m1/s1
InChIKeyFBZDSUDTYUQYGJ-NDZQKZDNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-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-(1-piperidinyl)ethyl]acetamide (CHEBI:99390) is a furopyran (CHEBI:74927)
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