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CHEBI:126497 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-chlorobenzenesulfonamide

ChEBI IDCHEBI:126497
ChEBI NameN-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-chlorobenzenesulfonamide
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DownloadsMolfile
FormulaC30H34ClN3O7S
Net Charge0
Average Mass616.136
Monoisotopic Mass615.18060
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C30H34ClN3O7S/c1-19-14-34(20(2)17-35)30(36)25-13-23(32-42(37,38)24-8-5-22(31)6-9-24)7-11-26(25)41-29(19)16-33(3)15-21-4-10-27-28(12-21)40-18-39-27/h4-13,19-20,29,32,35H,14-18H2,1-3H3/t19-,20+,29+/m1/s1
InChIKeyJRDUENCFVDHCHL-IKDMDFKBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-chlorobenzenesulfonamide (CHEBI:126497) is a sulfonamide (CHEBI:35358)
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