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CHEBI:108703 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:108703
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC31H39F3N4O5
Net Charge0
Average Mass604.670
Monoisotopic Mass604.28726
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H39F3N4O5/c1-19-16-38(20(2)18-39)29(41)25-15-24(35-28(40)21-7-5-4-6-8-21)13-14-26(25)43-27(19)17-37(3)30(42)36-23-11-9-22(10-12-23)31(32,33)34/h9-15,19-21,27,39H,4-8,16-18H2,1-3H3,(H,35,40)(H,36,42)/t19-,20+,27-/m1/s1
InChIKeyAZWNSNCWAAAZSD-IOKPGSKQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide (CHEBI:108703) is a ureas (CHEBI:47857)
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