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CHEBI:128735 - 1-[[(2R,3R)-9-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:128735
ChEBI Name1-[[(2R,3R)-9-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC31H34ClF3N4O6S
Net Charge0
Average Mass683.149
Monoisotopic Mass682.18397
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H34ClF3N4O6S/c1-19-16-39(20(2)18-40)29(41)15-21-14-25(37-46(43,44)26-11-6-23(32)7-12-26)10-13-27(21)45-28(19)17-38(3)30(42)36-24-8-4-22(5-9-24)31(33,34)35/h4-14,19-20,28,37,40H,15-18H2,1-3H3,(H,36,42)/t19-,20+,28+/m1/s1
InChIKeyAOOWTWOAVFKVAZ-HNPLUWAHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-9-[(4-chlorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:128735) is a sulfonamide (CHEBI:35358)
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