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CHEBI:128613 - N-[(2S,4aR,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide

ChEBI IDCHEBI:128613
ChEBI NameN-[(2S,4aR,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide
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DownloadsMolfile
FormulaC24H33N3O5
Net Charge0
Average Mass443.544
Monoisotopic Mass443.24202
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2
InChIInChI=1S/C24H33N3O5/c1-3-4-22(28)26-16-7-10-20-18(11-16)24(30)27(2)19-9-8-17(32-21(19)14-31-20)12-23(29)25-13-15-5-6-15/h7,10-11,15,17,19,21H,3-6,8-9,12-14H2,1-2H3,(H,25,29)(H,26,28)/t17-,19+,21-/m0/s1
InChIKeyKICHFZXSYRHWSE-DSKINZAPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aR,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide (CHEBI:128613) is a aromatic amide (CHEBI:62733)
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