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CHEBI:100937 - 2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-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:100937
ChEBI Name2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-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
FormulaC24H25FN2O6
Net Charge0
Average Mass456.470
Monoisotopic Mass456.16966
SMILESCOC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccccc4F)cc3C(=O)N2C)O1
InChIInChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19+,21-/m0/s1
InChIKeyQVBIDJFZXMTPPC-DLVCFXQMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-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:100937) is a carbonyl compound (CHEBI:36586)
2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-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:100937) is a organohalogen compound (CHEBI:17792)
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