N-Acetyl-S-{[(4-Cyanophenyl)Amino]Methyl}-L-Cysteine

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Properties Simple | Detailed

Formula C13H15N3O3S
IUPAC Name (2r)-2-acetamido-3-[(4-cyanoanilino)methylsulfanyl]propanoic acid
Molecular Mass 293.342 g·mol−1
Heat of Formation -337.0 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 344.83 Å 3
Surface Area 324.56 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[[(4-cyanophenyl)amino]methylsulfanyl]propanoic acid
  • (2r)-2-acetamido-3-[[(4-cyanophenyl)amino]methylthio]propanoic acid
  • (2r)-2-acetamido-3-[[(4-cyanophenyl)amino]methylthio]propionic acid
  • acamc
  • acetyl-s-(4-cyanoanilinomethyl)cysteine
  • l-cysteine, n-acetyl-s-(((4-cyanophenyl)amino)methyl)-, (3alpha,5beta,7alpha,12alpha)-
CAS Number(s)
  • 92089-94-6
InChIKey YBDZQNQPSNNEHQ-LBPRGKRZSA-N
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