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CHEBI:98872 - 2-[(3S,6aS,8S,10aS)-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-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:98872
ChEBI Name2-[(3S,6aS,8S,10aS)-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-(cyclopropylmethyl)acetamide
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DownloadsMolfile
FormulaC21H36N2O5
Net Charge0
Average Mass396.528
Monoisotopic Mass396.26242
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CC1
InChIInChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18-,19-,20+/m0/s1
InChIKeyNCINSYYDRJCYKJ-LWYYNNOASA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8S,10aS)-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-(cyclopropylmethyl)acetamide (CHEBI:98872) is a oxanes (CHEBI:46942)
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