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CHEBI:99278 - N-[(2R,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide

ChEBI IDCHEBI:99278
ChEBI NameN-[(2R,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
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DownloadsMolfile
FormulaC29H31N3O6S
Net Charge0
Average Mass549.649
Monoisotopic Mass549.19336
SMILESCOc1cccc(CNC(=O)C[C@H]2CC[C@@H]3[C@H](COc4ccc(NC(=O)c5cccs5)cc4C(=O)N3C)O2)c1
InChIInChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23-,25+/m1/s1
InChIKeyDZYZVJKKUJSUJU-PFATUAPWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide (CHEBI:99278) is a aromatic amide (CHEBI:62733)
N-[(2R,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide (CHEBI:99278) is a thiophenes (CHEBI:26961)
Manual XrefsDatabases
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