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CHEBI:127101 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide

ChEBI IDCHEBI:127101
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
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DownloadsMolfile
FormulaC23H31N3O5S
Net Charge0
Average Mass461.584
Monoisotopic Mass461.19844
SMILESCNC[C@@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C23H31N3O5S/c1-16-14-26(17(2)15-27)23(28)12-18-11-19(9-10-21(18)31-22(16)13-24-3)25-32(29,30)20-7-5-4-6-8-20/h4-11,16-17,22,24-25,27H,12-15H2,1-3H3/t16-,17+,22+/m1/s1
InChIKeyQTKSJTZHLLMPJE-JLHGSKIFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide (CHEBI:127101) is a sulfonamide (CHEBI:35358)
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