(2S)-N-[(1S)-2-[2,6-bis(fluoranyl)phenyl]-1-cyano-ethyl]-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-N-[(1S)-2-[2,6-bis(fluoranyl)phenyl]-1-cyano-ethyl]-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-(2,6-difluorophenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-[(1S)-1-cyano-2-(2,6-difluorophenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-(2,6-difluorophenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-(2,6-difluorophenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]valeramide Formula: C30H29F6N3O3S MolecularWeight: 625.624979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC(CC1=C(C=CC=C1F)F)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)N[C@@H](CC1=C(C=CC=C1F)F)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F

InChI

InChI=1S/C30H29F6N3O3S/c1-29(2,33)16-26(28(40)38-21(17-37)15-23-24(31)5-4-6-25(23)32)39-27(30(34,35)36)20-9-7-18(8-10-20)19-11-13-22(14-12-19)43(3,41)42/h4-14,21,26-27,39H,15-16H2,1-3H3,(H,38,40)/t21-,26-,27-/m0/s1