EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:97274 - 2-[(3R,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide

ChEBI IDCHEBI:97274
ChEBI Name2-[(3R,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
Stars
DownloadsMolfile
FormulaC21H25F2N3O4S
Net Charge0
Average Mass453.511
Monoisotopic Mass453.15338
SMILESO=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)Nc1nccs1
InChIInChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18+,19-/m1/s1
InChIKeyHLMLEGKKEQKEEG-AKHDSKFASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide (CHEBI:97274) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-8653LINCS