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CHEBI:126347 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

ChEBI IDCHEBI:126347
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
Stars
DownloadsMolfile
FormulaC31H38F3N5O5
Net Charge0
Average Mass617.669
Monoisotopic Mass617.28250
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2
InChIInChI=1S/C31H38F3N5O5/c1-18-14-39(19(2)17-40)28(41)13-23-12-25(35-30(42)36-29-20(3)37-44-21(29)4)10-11-26(23)43-27(18)16-38(5)15-22-6-8-24(9-7-22)31(32,33)34/h6-12,18-19,27,40H,13-17H2,1-5H3,(H2,35,36,42)/t18-,19+,27-/m1/s1
InChIKeyXNWPWURMKBHVTJ-VXLXPWSCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:126347) is a (trifluoromethyl)benzenes (CHEBI:83565)
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