S-Benzyl (2S)-2-Amino-4-Methylpentanethioate

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Properties Simple | Detailed

Formula C13H19NOS
IUPAC Name s-benzyl (2s)-2-amino-4-methyl-pentanethioate
Molecular Mass 237.361 g·mol−1
Heat of Formation -161.7 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 313.22 Å 3
Surface Area 254.27 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-methyl-pentanethioic acid s-(benzyl) ester
  • (2s)-2-amino-4-methylpentanethioic acid s-(phenylmethyl) ester
  • leu-sbzl
  • leucine thiobenzyl ester
  • s-(phenylmethyl) (2s)-2-amino-4-methyl-pentanethioate
  • s-(phenylmethyl) (2s)-2-amino-4-methylpentanethioate
CAS Number(s)
  • 108490-54-6
InChIKey XXLPLLWXUSUMRE-LBPRGKRZSA-N
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