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CHEBI:126011 - 2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

ChEBI IDCHEBI:126011
ChEBI Name2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC23H28N4O7
Net Charge0
Average Mass472.498
Monoisotopic Mass472.19580
SMILESCOC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1
InChIInChI=1S/C23H28N4O7/c1-12-21(13(2)34-26-12)25-23(30)24-14-5-8-18-16(9-14)22(29)27(3)17-7-6-15(10-20(28)31-4)33-19(17)11-32-18/h5,8-9,15,17,19H,6-7,10-11H2,1-4H3,(H2,24,25,30)/t15-,17+,19-/m0/s1
InChIKeyHIEAFXDTUBCSBH-WDYCEAGBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:126011) is a aromatic ether (CHEBI:35618)
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