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CHEBI:124204 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

ChEBI IDCHEBI:124204
ChEBI NameN-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
Stars
DownloadsMolfile
FormulaC30H36F3N5O4
Net Charge0
Average Mass587.643
Monoisotopic Mass587.27194
SMILESCc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C3=O)n(C)n1
InChIInChI=1S/C30H36F3N5O4/c1-18-14-38(20(3)17-39)29(41)23-7-6-8-24(34-28(40)25-13-19(2)35-37(25)5)27(23)42-26(18)16-36(4)15-21-9-11-22(12-10-21)30(31,32)33/h6-13,18,20,26,39H,14-17H2,1-5H3,(H,34,40)/t18-,20-,26+/m1/s1
InChIKeyQDWNULGEXLCSRK-DZTNWFRXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124204) is a (trifluoromethyl)benzenes (CHEBI:83565)
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