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CHEBI:98737 - N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:98737
ChEBI NameN-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC27H34N4O5
Net Charge0
Average Mass494.592
Monoisotopic Mass494.25292
SMILESO=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCCN1CCCCC1
InChIInChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24+,26-/m0/s1
InChIKeySWOCEPZEXMNKQZ-RXDHMRHRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:98737) is a furopyran (CHEBI:74927)
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