N-[3-(4-Azido-3-Iodophenyl)Propanoyl]-3-(2-Pyridinyldisulfanyl)-L-Alanine

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Properties Simple | Detailed

Formula C17H16IN5O3S2
IUPAC Name (2r)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-(2-pyridyldisulfanyl)propanoic acid
Molecular Mass 529.375 g·mol−1
Heat of Formation 20.8 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 495.1 Å 3
Surface Area 390.5 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-(2-pyridyldisulfanyl)propanoic acid
  • (2r)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-(2-pyridyldisulfanyl)propionic acid
  • (2r)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-pyridin-2-yldisulfanyl-propanoic acid
  • (2r)-2-[3-(4-azido-3-iodophenyl)propanoylamino]-3-pyridin-2-yldisulfanylpropanoic acid
  • (2r)-2-[[3-(4-azido-3-iodophenyl)-1-oxopropyl]amino]-3-(2-pyridyldisulfanyl)propanoic acid
  • actp
  • l-alanine, n-(3-(4-azido-3-iodophenyl)-1-oxopropyl)-3-(2-pyridinyldithio)-
  • n-(3-iodo-4-azidophenylpropionamido)-s-(2-thiopyridyl)cysteine
CAS Number(s)
  • 117820-47-0
InChIKey MVSBXGNECVFSOD-AWEZNQCLSA-N
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