3-[[(2S)-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoyl]amino]-4-oxidanylidene-N-(phenylsulfonyl)pyrrolidine-1-carboxamide

Systemtic Name: 3-[[(2S)-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoyl]amino]-4-oxidanylidene-N-(phenylsulfonyl)pyrrolidine-1-carboxamide Openeye Name: N-(benzenesulfonyl)-3-[[(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoyl]amino]-4-oxo-pyrrolidine-1-carboxamide CAS Name: N-(benzenesulfonyl)-3-[[(2S)-4-fluoro-4-methyl-1-oxo-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentyl]amino]-4-oxo-1-pyrrolidinecarboxamide IUPAC Name: N-(benzenesulfonyl)-3-[[(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoyl]amino]-4-oxopyrrolidine-1-carboxamide Traditional Name: N-besyl-3-[[(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]pentanoyl]amino]-4-keto-pyrrolidine-1-carboxamide Formula: C32H34F4N4O7S2 MolecularWeight: 726.758573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1CN(CC1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2)NC(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)NC1CN(CC1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2)N[C@@H](C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F)F

InChI

InChI=1S/C32H34F4N4O7S2/c1-31(2,33)17-25(29(42)38-26-18-40(19-27(26)41)30(43)39-49(46,47)24-7-5-4-6-8-24)37-28(32(34,35)36)22-11-9-20(10-12-22)21-13-15-23(16-14-21)48(3,44)45/h4-16,25-26,28,37H,17-19H2,1-3H3,(H,38,42)(H,39,43)/t25-,26?,28-/m0/s1