CHEBI:101929 - (3S,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

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ChEBI Name (3S,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:101929
Stars This entity has been manually annotated by a third party.
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Formula C24H34N4O7
Net Charge 0
Average Mass 490.550
Monoisotopic Mass 490.24275
InChI InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18-,19+,22-/m0/s1
InChIKey QICYWJCDSALLPT-VWNVYAMZSA-N
SMILES CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O
ChEBI Ontology
Outgoing (3S,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:101929) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-13290 LINCS
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