N,N'-Bis(4-Azidobenzoyl)-L-Cystine

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Properties Simple | Detailed

Formula C20H20N8O6S2
IUPAC Name (2r)-2-[(4-azidobenzoyl)amino]-3-[[(2r)-2-[(4-azidobenzoyl)amino]-2-carboxy-ethyl]disulfanyl]propanoic acid
Molecular Mass 532.553 g·mol−1
Heat of Formation -243.6 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 584.16 Å 3
Surface Area 496.6 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(4-azidobenzoyl)amino]-3-[(2r)-2-[(4-azidobenzoyl)amino]-3-hydroxy-3-keto-propyl]disulfanyl-propionic acid
  • (2r)-2-[(4-azidobenzoyl)amino]-3-[(2r)-2-[(4-azidobenzoyl)amino]-3-hydroxy-3-oxo-propyl]disulfanyl-propanoic acid
  • (2r)-2-[(4-azidophenyl)carbonylamino]-3-[(2r)-2-[(4-azidophenyl)carbonylamino]-3-hydroxy-3-oxo-propyl]disulfanyl-propanoic acid
  • (2r)-2-[[(4-azidophenyl)-oxomethyl]amino]-3-[(2r)-2-[[(4-azidophenyl)-oxomethyl]amino]-3-hydroxy-3-oxopropyl]disulfanylpropanoic acid
  • abc2
  • n,n'-bis(4-azidobenzoyl)cystine
CAS Number(s)
  • 98537-30-5
InChIKey VZMUZTBFPAWECJ-HOTGVXAUSA-N
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