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CHEBI:102972 - N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide

Default Structure
ChEBI IDCHEBI:102972
ChEBI NameN-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
Stars
DownloadsMolfile
FormulaC31H34N4O6
Net Charge0
Average Mass558.635
Monoisotopic Mass558.24783
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCCc3ccncc3)O[C@H]1CO2
InChIInChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25-,28+/m1/s1
InChIKeyPQVOHAVDCPBJEV-OKEQGEBHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide (CHEBI:102972) is a benzamides (CHEBI:22702)
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