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CHEBI:97904 - 2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxole-5-carbonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide

ChEBI IDCHEBI:97904
ChEBI Name2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxole-5-carbonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide
Stars
DownloadsMolfile
FormulaC24H32N2O7
Net Charge0
Average Mass460.527
Monoisotopic Mass460.22095
SMILESO=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc3c(c2)OCO3)O1)NC1CCCC1
InChIInChI=1S/C24H32N2O7/c27-17-11-26(24(29)15-5-8-20-21(9-15)32-14-31-20)19-7-6-18(33-22(19)13-30-12-17)10-23(28)25-16-3-1-2-4-16/h5,8-9,16-19,22,27H,1-4,6-7,10-14H2,(H,25,28)/t17-,18+,19-,22+/m0/s1
InChIKeyJZHWTQAESVMWQB-LMVRJCEZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxole-5-carbonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide (CHEBI:97904) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-9283LINCS