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CHEBI:124698 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124698
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC31H34F3N5O5
Net Charge0
Average Mass613.637
Monoisotopic Mass613.25120
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H34F3N5O5/c1-19-16-39(20(2)18-40)28(41)15-22-14-25(36-29(42)21-10-12-35-13-11-21)8-9-26(22)44-27(19)17-38(3)30(43)37-24-6-4-23(5-7-24)31(32,33)34/h4-14,19-20,27,40H,15-18H2,1-3H3,(H,36,42)(H,37,43)/t19-,20-,27-/m0/s1
InChIKeyWSQKSOCZDSLUAF-OSOCVKALSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:124698) is a ureas (CHEBI:47857)
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