(2S)-2-[[(1S)-1-[4-[4-[(1R)-2,2-bis(fluoranyl)-1-oxidanyl-ethyl]phenyl]phenyl]-2,2,2-tris(fluoranyl)ethyl]amino]-N-[(1S)-2-(4-bromanyl-2-fluoranyl-phenyl)-1-cyano-ethyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-[[(1S)-1-[4-[4-[(1R)-2,2-bis(fluoranyl)-1-oxidanyl-ethyl]phenyl]phenyl]-2,2,2-tris(fluoranyl)ethyl]amino]-N-[(1S)-2-(4-bromanyl-2-fluoranyl-phenyl)-1-cyano-ethyl]-3-methyl-butanamide Openeye Name: (2S)-N-[(1S)-2-(4-bromo-2-fluoro-phenyl)-1-cyano-ethyl]-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxy-ethyl]phenyl]phenyl]-2,2,2-trifluoro-ethyl]amino]-3-methyl-butanamide CAS Name: (2S)-N-[(1S)-2-(4-bromo-2-fluorophenyl)-1-cyanoethyl]-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(1S)-2-(4-bromo-2-fluorophenyl)-1-cyanoethyl]-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-3-methylbutanamide Traditional Name: (2S)-N-[(1S)-2-(4-bromo-2-fluoro-phenyl)-1-cyano-ethyl]-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxy-ethyl]phenyl]phenyl]-2,2,2-trifluoro-ethyl]amino]-3-methyl-butyramide Formula: C30H28BrF6N3O2 MolecularWeight: 656.456639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28BrF6N3O2/c1-16(2)25(29(42)39-23(15-38)13-21-11-12-22(31)14-24(21)32)40-27(30(35,36)37)20-9-5-18(6-10-20)17-3-7-19(8-4-17)26(41)28(33)34/h3-12,14,16,23,25-28,40-41H,13H2,1-2H3,(H,39,42)/t23-,25-,26+,27-/m0/s1