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

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ChEBI Name 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 ID CHEBI:102596
Stars This entity has been manually annotated by a third party.
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Formula C18H27N3O4
Net Charge 0
Average Mass 349.425
Monoisotopic Mass 349.20016
InChI InChI=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
InChIKey RNNHPDFMCSWFHC-NXOAAHMSSA-N
SMILES C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NCCC3=CC=NC=C3
ChEBI Ontology
Outgoing 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 Xref Database
LSM-13943 LINCS
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