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CHEBI:98332 - N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide

ChEBI IDCHEBI:98332
ChEBI NameN-[(2R,4aR,12aS)-5-methyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide
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DownloadsMolfile
FormulaC26H31N3O5S
Net Charge0
Average Mass497.617
Monoisotopic Mass497.19844
SMILESCN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21
InChIInChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20-,22-/m1/s1
InChIKeyIFOOEWPAOUEVPY-SYYKKAFVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide (CHEBI:98332) is a N-acylpiperidine (CHEBI:48591)
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