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CHEBI:127900 - 2-[(3R,6aR,8S,10aR)-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-[(3,5-difluorophenyl)methyl]acetamide

ChEBI IDCHEBI:127900
ChEBI Name2-[(3R,6aR,8S,10aR)-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-[(3,5-difluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC24H27F2N3O5
Net Charge0
Average Mass475.492
Monoisotopic Mass475.19188
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C24H27F2N3O5/c25-17-7-15(8-18(26)9-17)11-28-23(31)10-20-1-2-21-22(34-20)14-33-13-19(30)12-29(21)24(32)16-3-5-27-6-4-16/h3-9,19-22,30H,1-2,10-14H2,(H,28,31)/t19-,20+,21-,22+/m1/s1
InChIKeyDSRRCACAQBOFPT-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(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide (CHEBI:127900) is a aromatic carboxylic acid (CHEBI:33859)
2-[(3R,6aR,8S,10aR)-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-[(3,5-difluorophenyl)methyl]acetamide (CHEBI:127900) is a pyridinemonocarboxylic acid (CHEBI:26420)
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