(3S)-4-Oxo-3-[(Sulfanylacetyl)Amino]Pentanoic Acid

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Properties Simple | Detailed

Formula C7H11NO4S
IUPAC Name (3s)-4-oxo-3-[(2-sulfanylacetyl)amino]pentanoic acid
Molecular Mass 205.232 g·mol−1
Heat of Formation -772.5 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 239.8 Å 3
Surface Area 222.2 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(2-mercapto-1-oxoethyl)amino]-4-oxopentanoic acid
  • (3s)-4-keto-3-[(2-mercaptoacetyl)amino]valeric acid
  • (3s)-4-oxo-3-(2-sulfanylethanoylamino)pentanoic acid
  • (3s)-4-oxo-3-[(2-sulfanylacetyl)amino]pentanoic acid
  • 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
InChIKey BSLDCFOJAJXQLY-YFKPBYRVSA-N
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