EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99894 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide

ChEBI IDCHEBI:99894
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
Stars
DownloadsMolfile
FormulaC16H28N2O4
Net Charge0
Average Mass312.410
Monoisotopic Mass312.20491
SMILESCN1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21
InChIInChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13+,14-,15+/m1/s1
InChIKeyJDRFUATZRDBDCA-BARDWOONSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide (CHEBI:99894) is a oxanes (CHEBI:46942)
Manual XrefsDatabases
LSM-11273LINCS