N-(Phenylacetyl)-L-Cysteinyl-D-Valine

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Properties Simple | Detailed

Formula C16H22N2O4S
IUPAC Name (2r)-3-methyl-2-[[(2r)-2-[(2-phenylacetyl)amino]-3-sulfanyl-propanoyl]amino]butanoic acid
Molecular Mass 338.422 g·mol−1
Heat of Formation -720.9 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 418.38 Å 3
Surface Area 353.54 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-3-mercapto-1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]amino]-3-methylbutanoic acid
  • (2r)-2-[[(2r)-3-mercapto-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-methyl-butyric acid
  • (2r)-3-methyl-2-[[(2r)-2-(2-phenylethanoylamino)-3-sulfanyl-propanoyl]amino]butanoic acid
  • (2r)-3-methyl-2-[[(2r)-2-[(2-phenylacetyl)amino]-3-sulfanyl-propanoyl]amino]butanoic acid
  • d-valine, n-(n-(phenylacetyl)-l-cystinyl)-
  • phenylacetyl-l-cysteinyl-d-valine
  • phenylacetylcysteinylvaline
CAS Number(s)
  • 101770-15-4
InChIKey GHKVIBLDOGCQDR-GXTWGEPZSA-N
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