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CHEBI:98694 - N-[(2S,4aS,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:98694
ChEBI NameN-[(2S,4aS,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC29H41N3O6
Net Charge0
Average Mass527.662
Monoisotopic Mass527.29954
SMILESCN1C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@@H]21
InChIInChI=1S/C29H41N3O6/c1-32-24-9-8-22(16-27(33)30-17-19-5-3-2-4-6-19)38-26(24)18-37-25-10-7-21(15-23(25)29(32)35)31-28(34)20-11-13-36-14-12-20/h7,10,15,19-20,22,24,26H,2-6,8-9,11-14,16-18H2,1H3,(H,30,33)(H,31,34)/t22-,24-,26-/m0/s1
InChIKeyJZXYXAGICCVVHG-GVUKDKGQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aS,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:98694) is a aromatic amide (CHEBI:62733)
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