EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100046 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide

ChEBI IDCHEBI:100046
ChEBI Name2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
Stars
DownloadsMolfile
FormulaC28H34N2O5
Net Charge0
Average Mass478.589
Monoisotopic Mass478.24677
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1Cc2ccccc2C1
InChIInChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24-,25-,26+/m1/s1
InChIKeyJKLIXGQQXOXZKK-POTDNYQPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CHEBI:100046) is a acetamides (CHEBI:22160)
Manual XrefsDatabases
LSM-11425LINCS