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

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]ethyl]amino]valeramide Formula: C21H26F3N3O2 MolecularWeight: 409.44525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H26F3N3O2/c1-14(2)13-17(19(28)26-12-11-25)27-18(21(22,23)24)16-7-5-15(6-8-16)9-10-20(3,4)29/h5-8,14,17-18,27,29H,12-13H2,1-4H3,(H,26,28)/t17-,18-/m0/s1