(2S)-6-azanyl-N-[(2S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]hexanamide

Systemtic Name: (2S)-6-azanyl-N-[(2S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]hexanamide Openeye Name: (2S)-6-amino-N-[(1S)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-[(2,2,2-trifluoroacetyl)amino]hexanamide CAS Name: (2S)-6-amino-N-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]hexanamide IUPAC Name: (2S)-6-amino-N-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]hexanamide Traditional Name: (2S)-6-amino-N-[(1S)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl]-2-[(2,2,2-trifluoroacetyl)amino]hexanamide Formula: C18H22F6N4O3 MolecularWeight: 456.382699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)NC(=O)C(CCCCN)NC(=O)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)NC(=O)[C@H](CCCCN)NC(=O)C(F)(F)F

InChI

InChI=1S/C18H22F6N4O3/c1-10(14(29)27-12-7-5-11(6-8-12)17(19,20)21)26-15(30)13(4-2-3-9-25)28-16(31)18(22,23)24/h5-8,10,13H,2-4,9,25H2,1H3,(H,26,30)(H,27,29)(H,28,31)/t10-,13-/m0/s1