CHEBI:128594 - 2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide

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ChEBI Name 2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
ChEBI ID CHEBI:128594
Stars This entity has been manually annotated by a third party.
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Formula C20H28Cl2N2O4
Net Charge 0
Average Mass 431.354
Monoisotopic Mass 430.14261
InChI InChI=1S/C20H28Cl2N2O4/c1-2-23-20(26)8-15-4-6-18-19(28-15)12-27-11-14(25)10-24(18)9-13-3-5-16(21)17(22)7-13/h3,5,7,14-15,18-19,25H,2,4,6,8-12H2,1H3,(H,23,26)/t14-,15+,18+,19-/m0/s1
InChIKey YJLZEKXXFSNZLA-SFUIVIKGSA-N
SMILES CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O
ChEBI Ontology
Outgoing 2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:128594) is a dichlorobenzene (CHEBI:23697)
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