N-(4-Azidobenzoyl)Glycyl-3-(2-Pyridinyldisulfanyl)-L-Alanine

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Properties Simple | Detailed

Formula C17H16N6O4S2
IUPAC Name (2r)-2-[[2-[(4-azidobenzoyl)amino]acetyl]amino]-3-(2-pyridyldisulfanyl)propanoic acid
Molecular Mass 432.477 g·mol−1
Heat of Formation -178.4 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 484.36 Å 3
Surface Area 380.1 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[2-[(4-azidophenyl)carbonylamino]ethanoylamino]-3-pyridin-2-yldisulfanyl-propanoic acid
  • (2r)-2-[[2-[(4-azidobenzoyl)amino]acetyl]amino]-3-(2-pyridyldisulfanyl)propanoic acid
  • (2r)-2-[[2-[(4-azidobenzoyl)amino]acetyl]amino]-3-(2-pyridyldisulfanyl)propionic acid
  • (2r)-2-[[2-[[(4-azidophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(2-pyridyldisulfanyl)propanoic acid
  • agtc
  • l-alanine, n-(n-(4-azidobenzoyl)glycyl)-3-(2-pyridinyldithio)-
  • n-(4-azidobenzoylglycyl)-s-(2-thiopyridyl)cysteine
CAS Number(s)
  • 78196-39-1
InChIKey JDTSSKVMTNTRHY-ZDUSSCGKSA-N
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