CHEBI:97477 - (3S,6aS,8R,10aS)-8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-hydroxy-N-(2-methoxyphenyl)-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,6aS,8R,10aS)-8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-hydroxy-N-(2-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:97477
Stars This entity has been manually annotated by a third party.
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Formula C31H41N3O6
Net Charge 0
Average Mass 551.675
Monoisotopic Mass 551.29954
InChI InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27-,29+/m0/s1
InChIKey PLPDORRRKBPITR-IKQRCTNISA-N
SMILES COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O
ChEBI Ontology
Outgoing (3S,6aS,8R,10aS)-8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-hydroxy-N-(2-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:97477) is a piperidines (CHEBI:26151)
Manual Xref Database
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