(2S)-N-[(1S)-1-cyano-2-phenyl-ethyl]-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-[4-(4-methylsulfonylphenyl)phenyl]phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-phenyl-ethyl]-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-[4-(4-methylsulfonylphenyl)phenyl]phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-phenyl-ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(4-methylsulfonylphenyl)phenyl]phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-[(1S)-1-cyano-2-phenylethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(4-methylsulfonylphenyl)phenyl]phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-phenylethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(4-methylsulfonylphenyl)phenyl]phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-phenyl-ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(4-mesylphenyl)phenyl]phenyl]ethyl]amino]valeramide Formula: C36H35F4N3O3S MolecularWeight: 665.740013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC(CC1=CC=CC=C1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F)F

InChI

InChI=1S/C36H35F4N3O3S/c1-35(2,37)22-32(34(44)42-30(23-41)21-24-7-5-4-6-8-24)43-33(36(38,39)40)29-15-13-27(14-16-29)25-9-11-26(12-10-25)28-17-19-31(20-18-28)47(3,45)46/h4-20,30,32-33,43H,21-22H2,1-3H3,(H,42,44)/t30-,32-,33-/m0/s1