CHEBI:102887 - 2-[(3S,6aS,8R,10aS)-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,6aS,8R,10aS)-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:102887
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-VVLHAWIVSA-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,6aS,8R,10aS)-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:102887) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-14233 LINCS
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