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CHEBI:102416 - 2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide

ChEBI IDCHEBI:102416
ChEBI Name2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide
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DownloadsMolfile
FormulaC25H27N5O5
Net Charge0
Average Mass477.521
Monoisotopic Mass477.20122
SMILESCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(C#N)cc4)cc3C(=O)N2C)O1
InChIInChI=1S/C25H27N5O5/c1-27-23(31)12-18-8-9-20-22(35-18)14-34-21-10-7-17(11-19(21)24(32)30(20)2)29-25(33)28-16-5-3-15(13-26)4-6-16/h3-7,10-11,18,20,22H,8-9,12,14H2,1-2H3,(H,27,31)(H2,28,29,33)/t18-,20+,22-/m1/s1
InChIKeyWEQMSGPPXPWAGN-KAGYGMCKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide (CHEBI:102416) is a ureas (CHEBI:47857)
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