N-Acetyl-S-({(2R,3S,4R)-3-Hydroxy-2-[(1S)-1-Hydroxy-2-Methylpropyl]-4-Methyl-5-Oxo-2-Pyrrolidinyl}Carbonyl)-L-Cysteine

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Properties Simple | Detailed

Formula C15H24N2O7S
IUPAC Name (2r)-2-acetamido-3-[(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carbonyl]sulfanyl-propanoic acid
Molecular Mass 376.425 g·mol−1
Heat of Formation -1361.5 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 436.39 Å 3
Surface Area 361.95 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidin-2-yl]carbonylsulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carbonyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[[(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methyl-propyl]-5-keto-4-methyl-pyrrolidine-2-carbonyl]thio]propionic acid
  • (2r)-2-acetamido-3-[[[(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl]-oxomethyl]thio]propanoic acid
  • bcbcmap01_000029
  • bio1_000460
  • bio1_000949
  • bio1_001438
  • lactacystin
  • smp1_000173
InChIKey DAQAKHDKYAWHCG-RWTHQLGUSA-N
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