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CHEBI:102596 - 2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide

Default Structure
ChEBI IDCHEBI:102596
ChEBI Name2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
Stars
DownloadsMolfile
FormulaC18H27N3O4
Net Charge0
Average Mass349.431
Monoisotopic Mass349.20016
SMILESO=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCc1ccncc1
InChIInChI=1S/C18H27N3O4/c22-14-10-21-16-2-1-15(25-17(16)12-24-11-14)9-18(23)20-8-5-13-3-6-19-7-4-13/h3-4,6-7,14-17,21-22H,1-2,5,8-12H2,(H,20,23)/t14-,15-,16+,17-/m0/s1
InChIKeyRNNHPDFMCSWFHC-NXOAAHMSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:102596) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-13943LINCS