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CHEBI:99040 - 2-[(2R,4aS,12aS)-8-[[(3-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

ChEBI IDCHEBI:99040
ChEBI Name2-[(2R,4aS,12aS)-8-[[(3-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
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DownloadsMolfile
FormulaC33H33N5O5
Net Charge0
Average Mass579.657
Monoisotopic Mass579.24817
SMILESCN1C(=O)c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccc4c(c3)CCC4)CC[C@@H]21
InChIInChI=1S/C33H33N5O5/c1-38-28-12-11-26(17-31(39)35-24-9-8-21-5-3-6-22(21)15-24)43-30(28)19-42-29-13-10-25(16-27(29)32(38)40)37-33(41)36-23-7-2-4-20(14-23)18-34/h2,4,7-10,13-16,26,28,30H,3,5-6,11-12,17,19H2,1H3,(H,35,39)(H2,36,37,41)/t26-,28+,30-/m1/s1
InChIKeyIIDSWEGAQVAXHO-JNQIMCCTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aS,12aS)-8-[[(3-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CHEBI:99040) is a ureas (CHEBI:47857)
Manual XrefsDatabases
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