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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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 ID CHEBI:100046
Stars This entity has been manually annotated by a third party.
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Formula C28H34N2O5
Net Charge 0
Average Mass 478.581
Monoisotopic Mass 478.24677
InChI InChI=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
InChIKey JKLIXGQQXOXZKK-POTDNYQPSA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 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 Xref Database
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