N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-Fluorobenzoyl)-1,3-Thiazol-2-Yl]-1-Pyrrolidinyl}-2-Oxoethyl]-N~2~-Methylalaninamide

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Properties Simple | Detailed

Formula C26H33FN4O3S
IUPAC Name (2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-(methylamino)propanamide
Molecular Mass 500.629 g·mol−1
Heat of Formation -582.4 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 606.79 Å 3
Surface Area 440.21 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide
  • (2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)thiazol-2-yl]pyrrolidin-1-yl]-2-keto-ethyl]-2-methylamino-propionamide
  • (2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorobenzoyl)thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-methylamino-propanamide
  • (2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-(4-fluorophenyl)carbonyl-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-methylamino-propanamide
  • (2s)-n-[(1s)-1-cyclohexyl-2-[(2s)-2-[4-[(4-fluorophenyl)-oxomethyl]-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-methylaminopropanamide
InChIKey UFPFGVNKHCLJJO-SSKFGXFMSA-N
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