(2S,3S)-2-Amino-3-{[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl}Butanoic Acid

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Properties Simple | Detailed

Formula C7H14N2O4S
IUPAC Name (2s,3s)-2-amino-3-[(2r)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid
Molecular Mass 222.262 g·mol−1
Heat of Formation -755.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 255.94 Å 3
Surface Area 233.02 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-amino-3-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-butanoic acid
  • (2s,3s)-2-amino-3-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanylbutanoic acid
  • (2s,3s)-2-amino-3-[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]butyric acid
  • (2s,3s)-2-amino-3-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]butanoic acid
  • beta-methyllanthionine
  • butanoic acid, 2-amino-3-((2-amino-2-carboxyethyl)thio)-, (2s-(2r*,3r*(s*)))-
CAS Number(s)
  • 42849-28-5
InChIKey NSGOABPZARPCFM-VAYJURFESA-N
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