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CHEBI:100229 - N-[(2S,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide

ChEBI IDCHEBI:100229
ChEBI NameN-[(2S,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide
Stars
DownloadsMolfile
FormulaC27H32FN3O5
Net Charge0
Average Mass497.567
Monoisotopic Mass497.23260
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H]1CO2
InChIInChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24+/m0/s1
InChIKeyBYJFOJVMGKORHN-ODGPQVTHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide (CHEBI:100229) is a aromatic amide (CHEBI:62733)
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