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CHEBI:129451 - N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide

ChEBI IDCHEBI:129451
ChEBI NameN-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC30H43N3O5S
Net Charge0
Average Mass557.757
Monoisotopic Mass557.29234
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CCCCC2)O3)cc1
InChIInChI=1S/C30H43N3O5S/c1-21-10-13-26(14-11-21)39(36,37)31-25-12-15-28-27(16-25)30(35)33(23(3)20-34)17-22(2)29(38-28)19-32(4)18-24-8-6-5-7-9-24/h10-16,22-24,29,31,34H,5-9,17-20H2,1-4H3/t22-,23-,29-/m0/s1
InChIKeyNZHWHUJBRQKMJV-BOSRLCDASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide (CHEBI:129451) is a sulfonamide (CHEBI:35358)
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