(2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[1-(cyclopropylamino)-2-methyl-1-oxidanylidene-propan-2-yl]phenyl]phenyl]-2,2-bis(fluoranyl)ethyl]amino]-4-fluoranyl-4-methyl-pentanamide

Systemtic Name: (2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[1-(cyclopropylamino)-2-methyl-1-oxidanylidene-propan-2-yl]phenyl]phenyl]-2,2-bis(fluoranyl)ethyl]amino]-4-fluoranyl-4-methyl-pentanamide Openeye Name: (2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[2-(cyclopropylamino)-1,1-dimethyl-2-oxo-ethyl]phenyl]phenyl]-2,2-difluoro-ethyl]amino]-4-fluoro-4-methyl-pentanamide CAS Name: (2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[1-(cyclopropylamino)-2-methyl-1-oxopropan-2-yl]phenyl]phenyl]-2,2-difluoroethyl]amino]-4-fluoro-4-methylpentanamide IUPAC Name: (2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[1-(cyclopropylamino)-2-methyl-1-oxopropan-2-yl]phenyl]phenyl]-2,2-difluoroethyl]amino]-4-fluoro-4-methylpentanamide Traditional Name: (2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[2-(cyclopropylamino)-2-keto-1,1-dimethyl-ethyl]phenyl]phenyl]-2,2-difluoro-ethyl]amino]-4-fluoro-4-methyl-valeramide Formula: C31H37F3N4O2 MolecularWeight: 554.64629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)(C)C(=O)NC4CC4)C(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)(C)C(=O)NC4CC4)C(F)F)F

InChI

InChI=1S/C31H37F3N4O2/c1-29(2,34)17-24(27(39)38-31(18-35)15-16-31)37-25(26(32)33)21-7-5-19(6-8-21)20-9-11-22(12-10-20)30(3,4)28(40)36-23-13-14-23/h5-12,23-26,37H,13-17H2,1-4H3,(H,36,40)(H,38,39)/t24-,25-/m0/s1