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CHEBI:126838 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

ChEBI IDCHEBI:126838
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
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DownloadsMolfile
FormulaC25H35N3O6S
Net Charge0
Average Mass505.637
Monoisotopic Mass505.22466
SMILESCOc1ccc(CN(C)C[C@@H]2Oc3c(NS(C)(=O)=O)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C25H35N3O6S/c1-17-13-28(18(2)16-29)25(30)21-7-6-8-22(26-35(5,31)32)24(21)34-23(17)15-27(3)14-19-9-11-20(33-4)12-10-19/h6-12,17-18,23,26,29H,13-16H2,1-5H3/t17-,18+,23+/m1/s1
InChIKeyIAKBBZLEORGFOS-STSQHVNTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:126838) is a sulfonamide (CHEBI:35358)
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