N-Benzoyl-L-Phenylalanyl-4-[(5S)-1,1-Dioxido-3-Oxo-1,2-Thiazolidin-5-Yl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C28H28N4O6S
IUPAC Name n-[(1s)-2-[[(1s)-2-amino-2-oxo-1-[[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]methyl]ethyl]amino]-1-benzyl-2-oxo-ethyl]benzamide
Molecular Mass 548.610 g·mol−1
Heat of Formation -857.9 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 630.96 Å 3
Surface Area 463.33 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • f20
  • isothiazolidinone analog
  • n-[(1s)-2-[[(1s)-2-amino-2-keto-1-[4-[(5s)-1,1,3-triketo-1,2-thiazolidin-5-yl]benzyl]ethyl]amino]-1-(benzyl)-2-keto-ethyl]benzamide
  • n-[(1s)-2-[[(1s)-2-amino-2-oxo-1-[[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]methyl]ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]benzamide
  • n-[(2s)-1-[[(2s)-1-amino-1-oxo-3-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]benzamide
  • n-[(2s)-1-[[(2s)-1-amino-1-oxo-3-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
  • n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide
InChIKey ZSFPNCCMRAHJSA-HJOGWXRNSA-N
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