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CHEBI:102163 - 2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

ChEBI IDCHEBI:102163
ChEBI Name2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
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DownloadsMolfile
FormulaC30H34N4O6S
Net Charge0
Average Mass578.691
Monoisotopic Mass578.21991
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCCc4ccncc4)O[C@H]2CO3)cc1
InChIInChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26+,28+/m1/s1
InChIKeyKPGMTKVYFCJESC-KHGZIGHDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:102163) is a sulfonamide (CHEBI:35358)
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