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

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(3-methoxyphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethyl]amino]valeramide Formula: C23H26F3N3O2 MolecularWeight: 433.46665

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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)OC)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)OC)C(F)(F)F

InChI

InChI=1S/C23H26F3N3O2/c1-15(2)13-20(22(30)28-12-11-27)29-21(23(24,25)26)17-9-7-16(8-10-17)18-5-4-6-19(14-18)31-3/h4-10,14-15,20-21,29H,12-13H2,1-3H3,(H,28,30)/t20-,21-/m0/s1