CHEBI:130129 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide

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ChEBI Name 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
ChEBI ID CHEBI:130129
Stars This entity has been manually annotated by a third party.
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Formula C24H35ClN2O5
Net Charge 0
Average Mass 466.999
Monoisotopic Mass 466.22345
InChI InChI=1S/C24H35ClN2O5/c25-19-3-1-17(2-4-19)12-26-24(29)11-21-5-6-22-23(32-21)16-31-15-20(28)14-27(22)13-18-7-9-30-10-8-18/h1-4,18,20-23,28H,5-16H2,(H,26,29)/t20-,21-,22-,23+/m1/s1
InChIKey BAOGUHJCPJUNNL-ODAXIHTASA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)Cl
ChEBI Ontology
Outgoing 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:130129) is a organochlorine compound (CHEBI:36683)
Manual Xref Database
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