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CHEBI:127396 - 1-[(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]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:127396
ChEBI Name1-[(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]-3-(4-methoxyphenyl)urea
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DownloadsMolfile
FormulaC33H39F3N4O5
Net Charge0
Average Mass628.692
Monoisotopic Mass628.28726
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1
InChIInChI=1S/C33H39F3N4O5/c1-21-17-40(22(2)20-41)31(42)16-24-15-27(38-32(43)37-26-9-12-28(44-4)13-10-26)11-14-29(24)45-30(21)19-39(3)18-23-5-7-25(8-6-23)33(34,35)36/h5-15,21-22,30,41H,16-20H2,1-4H3,(H2,37,38,43)/t21-,22+,30-/m1/s1
InChIKeyBWUBMXZZYOWTMV-VDZJOXJSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(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]-3-(4-methoxyphenyl)urea (CHEBI:127396) is a ureas (CHEBI:47857)
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