N-Acetyl-S-(3-Oxo-3-Carboxy-N-Propyl)Cysteine

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Properties Simple | Detailed

Formula C9H13NO6S
IUPAC Name 4-[(2r)-2-acetamido-2-carboxy-ethyl]sulfanyl-2-oxo-butanoic acid
Molecular Mass 263.268 g·mol−1
Heat of Formation -1094.8 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 299.8 Å 3
Surface Area 277.22 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2r)-2-acetamido-3-hydroxy-3-oxo-propyl]sulfanyl-2-oxo-butanoic acid
  • 4-[(2r)-2-acetamido-3-hydroxy-3-oxopropyl]sulfanyl-2-oxobutanoic acid
  • 4-[[(2r)-2-acetamido-3-hydroxy-3-keto-propyl]thio]-2-keto-butyric acid
  • 4-[[(2r)-2-acetamido-3-hydroxy-3-oxopropyl]thio]-2-oxobutanoic acid
InChIKey AHFWWWFNCBRMIV-LURJTMIESA-N
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