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CHEBI:124676 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124676
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-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)c2cccc(NC(=O)c3ccncc3)c2O[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)23-5-4-6-24(36-27(40)20-11-13-34-14-12-20)26(23)43-25(18)16-37(3)29(42)35-22-9-7-21(8-10-22)30(31,32)33/h4-14,18-19,25,39H,15-17H2,1-3H3,(H,35,42)(H,36,40)/t18-,19-,25-/m1/s1
InChIKeyHRGVVTOWQOHPBJ-MPCDZSKCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:124676) is a ureas (CHEBI:47857)
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