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CHEBI:117313 - 2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide

ChEBI IDCHEBI:117313
ChEBI Name2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
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DownloadsMolfile
FormulaC27H34N4O5
Net Charge0
Average Mass494.592
Monoisotopic Mass494.25292
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1
InChIInChI=1S/C27H34N4O5/c32-16-24-26-22(12-20(35-24)13-25(33)29-15-17-5-4-10-28-14-17)21-11-19(8-9-23(21)36-26)31-27(34)30-18-6-2-1-3-7-18/h4-5,8-11,14,18,20,22,24,26,32H,1-3,6-7,12-13,15-16H2,(H,29,33)(H2,30,31,34)/t20-,22-,24-,26+/m0/s1
InChIKeyOBJFROVCRIKTIC-IFPZXYOKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide (CHEBI:117313) is a furopyran (CHEBI:74927)
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