(2S)-4-fluoranyl-4-methyl-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-[3-(2-oxidanylpropan-2-yl)phenyl]phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-4-fluoranyl-4-methyl-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-[3-(2-oxidanylpropan-2-yl)phenyl]phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-4-fluoro-4-methyl-N-[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]-2-[[(1S)-2,2,2-trifluoro-1-[4-[3-(1-hydroxy-1-methyl-ethyl)phenyl]phenyl]ethyl]amino]pentanamide CAS Name: (2S)-4-fluoro-4-methyl-N-[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]-2-[[(1S)-2,2,2-trifluoro-1-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-4-fluoro-4-methyl-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)-2-[[(1S)-2,2,2-trifluoro-1-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-4-fluoro-N-[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[3-(1-hydroxy-1-methyl-ethyl)phenyl]phenyl]ethyl]amino]valeramide Formula: C34H40F4N4O5S MolecularWeight: 692.763813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(C3=CC=C(C=C3)C4=CC(=CC=C4)C(C)(C)O)C(F)(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)N[C@@H](C3=CC=C(C=C3)C4=CC(=CC=C4)C(C)(C)O)C(F)(F)F)F

InChI

InChI=1S/C34H40F4N4O5S/c1-32(2,35)20-27(31(44)41-26-11-8-18-42(21-28(26)43)48(46,47)29-12-5-6-17-39-29)40-30(34(36,37)38)23-15-13-22(14-16-23)24-9-7-10-25(19-24)33(3,4)45/h5-7,9-10,12-17,19,26-27,30,40,45H,8,11,18,20-21H2,1-4H3,(H,41,44)/t26?,27-,30-/m0/s1