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CHEBI:127141 - 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-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:127141
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-(cyclopropylmethyl)acetamide
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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)c2cccnc2)O1)NCC1CC1
InChIInChI=1S/C21H29N3O5/c25-16-11-24(21(27)15-2-1-7-22-10-15)18-6-5-17(29-19(18)13-28-12-16)8-20(26)23-9-14-3-4-14/h1-2,7,10,14,16-19,25H,3-6,8-9,11-13H2,(H,23,26)/t16-,17+,18-,19+/m1/s1
InChIKeyFNQQCFRHHZKPJJ-HCXYKTFWSA-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-(cyclopropylmethyl)acetamide (CHEBI:127141) 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-(cyclopropylmethyl)acetamide (CHEBI:127141) is a pyridinemonocarboxylic acid (CHEBI:26420)
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