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CHEBI:113646 - 4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:113646
ChEBI Name4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
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DownloadsMolfile
FormulaC29H41FN4O6S
Net Charge0
Average Mass592.734
Monoisotopic Mass592.27308
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C29H41FN4O6S/c1-20-17-34(21(2)19-35)29(37)16-22-15-24(31-28(36)7-6-14-32(3)4)10-13-26(22)40-27(20)18-33(5)41(38,39)25-11-8-23(30)9-12-25/h8-13,15,20-21,27,35H,6-7,14,16-19H2,1-5H3,(H,31,36)/t20-,21+,27-/m1/s1
InChIKeyQROKXOKLOVAMIJ-PBDKAQRYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:113646) is a sulfonamide (CHEBI:35358)
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