(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(3-methanoylphenyl)phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(3-methanoylphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-formylphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-formylphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-formylphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-formylphenyl)phenyl]ethyl]amino]valeramide Formula: C23H24F3N3O2 MolecularWeight: 431.45077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C2=CC(=CC=C2)C=O)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)N[C@@H](C1=CC=C(C=C1)C2=CC(=CC=C2)C=O)C(F)(F)F

InChI

InChI=1S/C23H24F3N3O2/c1-15(2)12-20(22(31)28-11-10-27)29-21(23(24,25)26)18-8-6-17(7-9-18)19-5-3-4-16(13-19)14-30/h3-9,13-15,20-21,29H,11-12H2,1-2H3,(H,28,31)/t20-,21-/m0/s1