CHEBI:100405 - N-[(2R,4aS,12aS)-2-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]propanamide

ChEBI IDCHEBI:100405
ChEBI NameN-[(2R,4aS,12aS)-2-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]propanamide
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DownloadsMolfile
FormulaC25H27F2N3O5
Net Charge0
Average Mass487.503
Monoisotopic Mass487.19188
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3c(F)cccc3F)O[C@@H]1CO2
InChIInChI=1S/C25H27F2N3O5/c1-3-22(31)28-14-7-10-20-16(11-14)25(33)30(2)19-9-8-15(35-21(19)13-34-20)12-23(32)29-24-17(26)5-4-6-18(24)27/h4-7,10-11,15,19,21H,3,8-9,12-13H2,1-2H3,(H,28,31)(H,29,32)/t15-,19+,21-/m1/s1
InChIKeyHLFXQWPRBSRVAN-MFMILTCTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,4aS,12aS)-2-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]propanamide (CHEBI:100405) is a anilide (CHEBI:13248)
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