CHEBI:101642 - 2-[(3R,6aS,8R,10aS)-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-methylacetamide

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ChEBI Name 2-[(3R,6aS,8R,10aS)-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-methylacetamide
ChEBI ID CHEBI:101642
Stars This entity has been manually annotated by a third party.
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Formula C19H26Cl2N2O4
Net Charge 0
Average Mass 417.327
Monoisotopic Mass 416.12696
InChI InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17+,18-/m1/s1
InChIKey ZCDZHCWZNJFIKB-KJWYOANISA-N
SMILES CNC(=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-[(3R,6aS,8R,10aS)-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-methylacetamide (CHEBI:101642) is a dichlorobenzene (CHEBI:23697)
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