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CHEBI:126248 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:126248
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
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DownloadsMolfile
FormulaC29H39N3O8S
Net Charge0
Average Mass589.711
Monoisotopic Mass589.24579
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)C4CCOCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C29H39N3O8S/c1-19-16-32(20(2)18-33)29(35)24-6-5-7-25(30-28(34)21-12-14-39-15-13-21)27(24)40-26(19)17-31(3)41(36,37)23-10-8-22(38-4)9-11-23/h5-11,19-21,26,33H,12-18H2,1-4H3,(H,30,34)/t19-,20-,26-/m1/s1
InChIKeyKUMTZIUPXZKNDA-XMERXJNXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:126248) is a sulfonamide (CHEBI:35358)
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