N-(3-Sulfanylpropanoyl)-D-Alanine

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Properties Simple | Detailed

Formula C6H11NO3S
IUPAC Name (2r)-2-(3-sulfanylpropanoylamino)propanoic acid
Molecular Mass 177.221 g·mol−1
Heat of Formation -615.6 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 209.55 Å 3
Surface Area 209.38 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(3-mercaptopropanoylamino)propionic acid
  • (2r)-2-(3-sulfanylpropanoylamino)propanoic acid
  • (2r)-2-[(3-mercapto-1-oxopropyl)amino]propanoic acid
  • i38
InChIKey JIAFOCJABIEPNM-SCSAIBSYSA-N
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