N-{[4-(1,1-Dioxido-3-Oxo-2,3-Dihydro-1,2-Thiazol-5-Yl)Phenyl]Acetyl}-L-Phenylalanyl-4-(1,1-Dioxido-3-Oxo-2,3-Dihydro-1,2-Thiazol-5-Yl)-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C32H29N5O9S2
IUPAC Name (2s)-n-[(1s)-2-amino-2-oxo-1-[[4-(1,1,3-trioxoisothiazol-5-yl)phenyl]methyl]ethyl]-3-phenyl-2-[[2-[4-(1,1,3-trioxoisothiazol-5-yl)phenyl]acetyl]amino]propanamide
Molecular Mass 691.731 g·mol−1
Heat of Formation -1178.5 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 758.2 Å 3
Surface Area 544.19 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-2-amino-2-keto-1-[4-(1,1,3-triketoisothiazol-5-yl)benzyl]ethyl]-3-phenyl-2-[[2-[4-(1,1,3-triketoisothiazol-5-yl)phenyl]acetyl]amino]propionamide
  • (2s)-n-[(1s)-2-amino-2-oxo-1-[[4-(1,1,3-trioxo-5-isothiazolyl)phenyl]methyl]ethyl]-2-[[1-oxo-2-[4-(1,1,3-trioxo-5-isothiazolyl)phenyl]ethyl]amino]-3-phenylpropanamide
  • (2s)-n-[(1s)-2-amino-2-oxo-1-[[4-(1,1,3-trioxoisothiazol-5-yl)phenyl]methyl]ethyl]-3-phenyl-2-[[2-[4-(1,1,3-trioxoisothiazol-5-yl)phenyl]acetyl]amino]propanamide
  • (2s)-n-[(2s)-1-amino-1-oxo-3-[4-(1,1,3-trioxo-1,2-thiazol-5-yl)phenyl]propan-2-yl]-3-phenyl-2-[2-[4-(1,1,3-trioxo-1,2-thiazol-5-yl)phenyl]ethanoylamino]propanamide
  • (2s)-n-[(2s)-1-amino-1-oxo-3-[4-(1,1,3-trioxo-1,2-thiazol-5-yl)phenyl]propan-2-yl]-3-phenyl-2-[[2-[4-(1,1,3-trioxo-1,2-thiazol-5-yl)phenyl]acetyl]amino]propanamide
  • isothiazolidanone analogue
  • n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide
InChIKey UFODMKCMIALWNE-DQEYMECFSA-N
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