N-(Sulfanylacetyl)-L-Phenylalanyl-L-Phenylalanine

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Properties Simple | Detailed

Formula C20H22N2O4S
IUPAC Name (2s)-3-phenyl-2-[[(2s)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]propanoic acid
Molecular Mass 386.465 g·mol−1
Heat of Formation -576.5 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 483.01 Å 3
Surface Area 378.36 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[(2-mercapto-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[(2s)-2-[(2-mercaptoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid
  • (2s)-3-phenyl-2-[[(2s)-3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]amino]propanoic acid
  • 2-mercaptoacetyl-l-phenylalanyl-l-phenylalanine
  • 2-mercaptoacetyl-phenylalanylphenylalanine
  • l-phenylalanine, n-(n-(mercaptoacetyl)-l-phenylalanyl)-
  • phelorphan
CAS Number(s)
  • 110871-16-4
InChIKey DPRJEBOTAKMRQV-IRXDYDNUSA-N
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