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CHEBI:111805 - N-[(2S,3S)-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]-4-pyridinecarboxamide

ChEBI IDCHEBI:111805
ChEBI NameN-[(2S,3S)-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]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC30H32F3N5O5
Net Charge0
Average Mass599.610
Monoisotopic Mass599.23555
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H32F3N5O5/c1-18-15-38(19(2)17-39)28(41)24-14-23(35-27(40)20-10-12-34-13-11-20)8-9-25(24)43-26(18)16-37(3)29(42)36-22-6-4-21(5-7-22)30(31,32)33/h4-14,18-19,26,39H,15-17H2,1-3H3,(H,35,40)(H,36,42)/t18-,19-,26+/m0/s1
InChIKeyCEYHIDAYCYBVJJ-LZJCXSABSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-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]-4-pyridinecarboxamide (CHEBI:111805) is a ureas (CHEBI:47857)
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