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CHEBI:97625 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide

ChEBI IDCHEBI:97625
ChEBI Name2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
Stars
DownloadsMolfile
FormulaC19H27N3O5
Net Charge0
Average Mass377.441
Monoisotopic Mass377.19507
SMILESCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1
InChIInChI=1S/C19H27N3O5/c1-2-20-18(24)9-14-6-7-16-17(27-14)12-26-11-13(23)10-22(16)19(25)15-5-3-4-8-21-15/h3-5,8,13-14,16-17,23H,2,6-7,9-12H2,1H3,(H,20,24)/t13-,14-,16+,17-/m1/s1
InChIKeyXTMFCURZJJHNFP-TXCZRRACSA-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,8R,10aS)-3-hydroxy-1-(pyridine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:97625) is a aromatic carboxylic acid (CHEBI:33859)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:97625) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-9004LINCS