(2S)-5-Tert-Butyl-3-(N-((1S)-1-(Ethoxycarbonyl)-3-Phenylpropyl)-L-Alanyl)-2,3-Dihydro-1,3,4-Thiadiazole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H31N3O5S
IUPAC Name (2s)-5-tert-butyl-3-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2h-1,3,4-thiadiazole-2-carboxylic acid
Molecular Mass 449.564 g·mol−1
Heat of Formation -822.6 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 553.89 Å 3
Surface Area 430.81 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-tert-butyl-3-[(2s)-2-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-2h-1,3,4-thiadiazole-2-carboxylic acid
  • (2s)-5-tert-butyl-3-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2h-1,3,4-thiadiazole-2-carboxylic acid
  • (2s)-5-tert-butyl-3-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-2h-1,3,4-thiadiazole-2-carboxylic acid
  • (2s)-5-tert-butyl-3-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-2h-1,3,4-thiadiazole-2-carboxylic acid
  • (2s)-5-tert-butyl-3-[(2s)-2-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2h-1,3,4-thiadiazole-2-carboxylic acid
InChIKey FTYVYAGWBXTWTN-ZVZYQTTQSA-N
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