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CHEBI:126062 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide

ChEBI IDCHEBI:126062
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-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)c2cccnc2)O1
InChIInChI=1S/C19H27N3O5/c1-2-21-18(24)8-15-5-6-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-4-3-7-20-9-13/h3-4,7,9,14-17,23H,2,5-6,8,10-12H2,1H3,(H,21,24)/t14-,15+,16-,17+/m1/s1
InChIKeyOSTXBBBXOSEBLK-TWMKSMIVSA-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,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:126062) is a aromatic carboxylic acid (CHEBI:33859)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:126062) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-37629LINCS