N-(Cyanomethyl)-N~2~-{(1S)-2,2,2-Trifluoro-1-[4'-(Methylsulfonyl)-4-Biphenylyl]Ethyl}-L-Leucinamide

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Formula C23H26F3N3O3S
IUPAC Name (2s)-n-(cyanomethyl)-4-methyl-2-[[(1s)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Molecular Mass 481.531 g·mol−1
Heat of Formation -957.5 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 561.24 Å 3
Surface Area 441.42 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(cyanomethyl)-4-methyl-2-[[(1s)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]valeramide
  • (2s)-n-(cyanomethyl)-4-methyl-2-[[(1s)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
InChIKey VYFDSJLOCIGIKP-SFTDATJTSA-N
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