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CHEBI:128451 - N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

ChEBI IDCHEBI:128451
ChEBI NameN-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
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DownloadsMolfile
FormulaC25H33N3O7S
Net Charge0
Average Mass519.620
Monoisotopic Mass519.20392
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C25H33N3O7S/c1-16-11-28(17(2)14-29)25(30)20-10-19(26-36(4,31)32)6-8-21(20)35-24(16)13-27(3)12-18-5-7-22-23(9-18)34-15-33-22/h5-10,16-17,24,26,29H,11-15H2,1-4H3/t16-,17-,24-/m1/s1
InChIKeyBIPWQDPXNYPYPT-HOZJOUCCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:128451) is a sulfonamide (CHEBI:35358)
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