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CHEBI:98279 - methyl 2-[(2R,4aS,12aR)-8-[(3,5-dimethylphenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate

ChEBI IDCHEBI:98279
ChEBI Namemethyl 2-[(2R,4aS,12aR)-8-[(3,5-dimethylphenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
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FormulaC26H31N3O6
Net Charge0
Average Mass481.549
Monoisotopic Mass481.22129
SMILESCOC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1
InChIInChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21+,23+/m1/s1
InChIKeyANPNCKARMDTJMY-NWSQWKLXSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-[(2R,4aS,12aR)-8-[(3,5-dimethylphenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate (CHEBI:98279) is a ureas (CHEBI:47857)
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