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CHEBI:130950 - 2-[(3R,6aR,8S,10aR)-1-(cyclopentylmethyl)-3-hydroxy-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 IDCHEBI:130950
ChEBI Name2-[(3R,6aR,8S,10aR)-1-(cyclopentylmethyl)-3-hydroxy-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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DownloadsMolfile
FormulaC24H35ClN2O4
Net Charge0
Average Mass451.007
Monoisotopic Mass450.22854
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H35ClN2O4/c25-19-7-5-17(6-8-19)12-26-24(29)11-21-9-10-22-23(31-21)16-30-15-20(28)14-27(22)13-18-3-1-2-4-18/h5-8,18,20-23,28H,1-4,9-16H2,(H,26,29)/t20-,21+,22-,23+/m1/s1
InChIKeyCRLLQFKYKMFPBK-ACESQOTJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-1-(cyclopentylmethyl)-3-hydroxy-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:130950) is a organochlorine compound (CHEBI:36683)
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