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CHEBI:97841 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide

ChEBI IDCHEBI:97841
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
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DownloadsMolfile
FormulaC28H30N4O6
Net Charge0
Average Mass518.570
Monoisotopic Mass518.21653
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCc4ccccn4)O[C@@H](CO)[C@@H]2O3)cc1
InChIInChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23-,25-,27+/m0/s1
InChIKeyFWDZHOQSJMEDFJ-NTYBTQPHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CHEBI:97841) is a ureas (CHEBI:47857)
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