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CHEBI:127524 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide

ChEBI IDCHEBI:127524
ChEBI Name2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
Stars
DownloadsMolfile
FormulaC21H29N3O5
Net Charge0
Average Mass403.479
Monoisotopic Mass403.21072
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1
InChIInChI=1S/C21H29N3O5/c25-16-11-24(21(27)14-6-8-22-9-7-14)18-5-4-17(29-19(18)13-28-12-16)10-20(26)23-15-2-1-3-15/h6-9,15-19,25H,1-5,10-13H2,(H,23,26)/t16-,17+,18+,19-/m1/s1
InChIKeyCTCPSWIUXSZTMR-YDZRNGNQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide (CHEBI:127524) is a aromatic carboxylic acid (CHEBI:33859)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide (CHEBI:127524) is a pyridinemonocarboxylic acid (CHEBI:26420)
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