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CHEBI:122853 - 2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:122853
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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DownloadsMolfile
FormulaC21H28N2O6
Net Charge0
Average Mass404.463
Monoisotopic Mass404.19474
SMILESO=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C21H28N2O6/c24-11-18-20-16(9-14(28-18)10-19(25)26)15-8-13(6-7-17(15)29-20)23-21(27)22-12-4-2-1-3-5-12/h6-8,12,14,16,18,20,24H,1-5,9-11H2,(H,25,26)(H2,22,23,27)/t14-,16+,18-,20-/m1/s1
InChIKeyBVUMLAQBIXIYMI-IHMNZUQTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:122853) is a furopyran (CHEBI:74927)
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