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CHEBI:124113 - 4-fluoro-N-[(2R,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]benzenesulfonamide

ChEBI IDCHEBI:124113
ChEBI Name4-fluoro-N-[(2R,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]benzenesulfonamide
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DownloadsMolfile
FormulaC29H35FN4O5S
Net Charge0
Average Mass570.687
Monoisotopic Mass570.23122
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C29H35FN4O5S/c1-20-16-34(21(2)19-35)29(36)15-23-14-25(32-40(37,38)26-7-4-24(30)5-8-26)6-9-27(23)39-28(20)18-33(3)17-22-10-12-31-13-11-22/h4-14,20-21,28,32,35H,15-19H2,1-3H3/t20-,21-,28-/m0/s1
InChIKeyKBGZPWAPJDTCOK-CZBREUMFSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[(2R,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]benzenesulfonamide (CHEBI:124113) is a sulfonamide (CHEBI:35358)
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