N-[(2R)-3-Phenyl-2-Sulfanylpropanoyl]-L-Phenylalanyl-L-Alanine

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Properties Simple | Detailed

Formula C21H24N2O4S
IUPAC Name (2s)-2-[[(2s)-3-phenyl-2-[[(2r)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 400.491 g·mol−1
Heat of Formation -636.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 485.81 Å 3
Surface Area 389.59 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[(2r)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
  • (2s)-2-[[(2s)-2-[[(2r)-2-mercapto-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid
  • (2s)-2-[[(2s)-3-phenyl-2-[[(2r)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid
  • (2s)-2-[[(2s)-3-phenyl-2-[[(2r)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]amino]propanoic acid
  • oir
InChIKey CNILVMARPONFBX-JCGIZDLHSA-N
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