N-[1-(Aminomethyl)Cyclopropyl]-3-(4-Morpholinylsulfonyl)-N~2~-[(1S)-2,2,2-Trifluoro-1-(4-Fluorophenyl)Ethyl]-L-Alaninamide

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Formula C19H26F4N4O4S
IUPAC Name (2r)-n-[1-(aminomethyl)cyclopropyl]-3-morpholinosulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide
Molecular Mass 482.493 g·mol−1
Heat of Formation -1344.1 ± 16.7 kJ·mol−1
Dipole Moment 9.62 ± 1.08 D
Volume 537.31 Å 3
Surface Area 434.25 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-n-[1-(aminomethyl)cyclopropyl]-3-morpholin-4-ylsulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide
  • (2r)-n-[1-(aminomethyl)cyclopropyl]-3-morpholinosulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide
  • (2r)-n-[1-(aminomethyl)cyclopropyl]-3-morpholinosulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propionamide
InChIKey BJIKKEHGGYGGIX-HOTGVXAUSA-N
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