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CHEBI:98422 - 2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide

ChEBI IDCHEBI:98422
ChEBI Name2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide
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FormulaC22H34N4O6S
Net Charge0
Average Mass482.603
Monoisotopic Mass482.21991
SMILESCN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NS(C)(=O)=O)cc3C(=O)N2C)O1
InChIInChI=1S/C22H34N4O6S/c1-25(2)11-5-10-23-21(27)13-16-7-8-18-20(32-16)14-31-19-9-6-15(24-33(4,29)30)12-17(19)22(28)26(18)3/h6,9,12,16,18,20,24H,5,7-8,10-11,13-14H2,1-4H3,(H,23,27)/t16-,18+,20+/m0/s1
InChIKeyCDAYNQARGBNMSE-ILZDJORESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide (CHEBI:98422) is a sulfonamide (CHEBI:35358)
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