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CHEBI:99730 - 2-[(2R,4aS,12aS)-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]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

ChEBI IDCHEBI:99730
ChEBI Name2-[(2R,4aS,12aS)-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]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
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FormulaC32H37N5O6
Net Charge0
Average Mass587.677
Monoisotopic Mass587.27438
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc4c(c3)CCCC4)O[C@@H]1CO2
InChIInChI=1S/C32H37N5O6/c1-18-30(19(2)43-36-18)35-32(40)34-23-10-13-27-25(15-23)31(39)37(3)26-12-11-24(42-28(26)17-41-27)16-29(38)33-22-9-8-20-6-4-5-7-21(20)14-22/h8-10,13-15,24,26,28H,4-7,11-12,16-17H2,1-3H3,(H,33,38)(H2,34,35,40)/t24-,26+,28-/m1/s1
InChIKeyPMBFMNXVRNVJKX-MAARLIENSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aS,12aS)-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]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CHEBI:99730) is a tetralins (CHEBI:36786)
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