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CHEBI:128479 - 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-(phenylmethyl)acetamide

ChEBI IDCHEBI:128479
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-(phenylmethyl)acetamide
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DownloadsMolfile
FormulaC24H29N3O5
Net Charge0
Average Mass439.512
Monoisotopic Mass439.21072
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1
InChIInChI=1S/C24H29N3O5/c28-19-14-27(24(30)18-7-4-10-25-13-18)21-9-8-20(32-22(21)16-31-15-19)11-23(29)26-12-17-5-2-1-3-6-17/h1-7,10,13,19-22,28H,8-9,11-12,14-16H2,(H,26,29)/t19-,20+,21-,22+/m1/s1
InChIKeyWQKQNFNIYIMODF-MBDNFAEBSA-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-(phenylmethyl)acetamide (CHEBI:128479) 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-(phenylmethyl)acetamide (CHEBI:128479) is a pyridinemonocarboxylic acid (CHEBI:26420)
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