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CHEBI:100772 - 2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

ChEBI IDCHEBI:100772
ChEBI Name2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
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DownloadsMolfile
FormulaC23H26N2O7S
Net Charge0
Average Mass474.535
Monoisotopic Mass474.14607
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2
InChIInChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18+,20+/m0/s1
InChIKeyRXPZKEATMSRBBD-ILZDJORESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:100772) is a sulfonamide (CHEBI:35358)
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