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CHEBI:98176 - 2-[(3S,6aS,8R,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide

ChEBI IDCHEBI:98176
ChEBI Name2-[(3S,6aS,8R,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
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DownloadsMolfile
FormulaC22H41N3O4
Net Charge0
Average Mass411.587
Monoisotopic Mass411.30971
SMILESCN(C)CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1
InChIInChI=1S/C22H41N3O4/c1-24(2)11-5-10-23-22(27)12-19-8-9-20-21(29-19)16-28-15-18(26)14-25(20)13-17-6-3-4-7-17/h17-21,26H,3-16H2,1-2H3,(H,23,27)/t18-,19+,20-,21+/m0/s1
InChIKeyQGGFARYSPQJNIH-JSXRDJHFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide (CHEBI:98176) is a oxanes (CHEBI:46942)
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