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CHEBI:111579 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

ChEBI IDCHEBI:111579
ChEBI NameN-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
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DownloadsMolfile
FormulaC24H34N4O5S
Net Charge0
Average Mass490.626
Monoisotopic Mass490.22499
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C24H34N4O5S/c1-17-13-28(18(2)16-29)24(30)12-20-11-21(26-34(4,31)32)5-6-22(20)33-23(17)15-27(3)14-19-7-9-25-10-8-19/h5-11,17-18,23,26,29H,12-16H2,1-4H3/t17-,18-,23+/m0/s1
InChIKeyZIGDOLRJGHLEBT-IUKKYPGJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:111579) is a sulfonamide (CHEBI:35358)
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