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CHEBI:125890 - 1-[(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]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:125890
ChEBI Name1-[(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]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC31H34F4N4O6S
Net Charge0
Average Mass666.694
Monoisotopic Mass666.21352
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C31H34F4N4O6S/c1-19-16-39(20(2)18-40)29(41)15-21-14-25(37-30(42)36-24-8-4-22(5-9-24)31(33,34)35)10-13-27(21)45-28(19)17-38(3)46(43,44)26-11-6-23(32)7-12-26/h4-14,19-20,28,40H,15-18H2,1-3H3,(H2,36,37,42)/t19-,20+,28-/m1/s1
InChIKeyVBIHEYQLZSGFAG-NKQBKRSGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:125890) is a sulfonamide (CHEBI:35358)
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