(4S)-4-Amino-5-{[(2R)-2-Amino-3-{[(Z)-1,2-Dichlorovinyl]Sulfanyl}Propanoyl]Oxy}-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C10H14Cl2N2O5S
IUPAC Name (4s)-4-amino-5-[(2r)-2-amino-3-[(z)-1,2-dichlorovinyl]sulfanyl-propanoyl]oxy-5-oxo-pentanoic acid
Molecular Mass 345.200 g·mol−1
Heat of Formation -939.4 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 357.97 Å 3
Surface Area 286.67 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[(2r)-2-amino-3-[(z)-1,2-dichloroethenyl]sulfanyl-propanoyl]oxy-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[(2r)-2-amino-3-[(z)-1,2-dichlorovinyl]sulfanyl-propanoyl]oxy-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[(2r)-2-amino-3-[[(z)-1,2-dichlorovinyl]thio]-1-oxopropoxy]-5-oxopentanoic acid
  • (4s)-4-amino-5-[(2r)-2-amino-3-[[(z)-1,2-dichlorovinyl]thio]propanoyl]oxy-5-keto-valeric acid
  • glutamyl-s-(1,2-dichlorovinyl)cysteine
  • l-cysteine, s-(1,2-dichloroethenyl)-n-l-gamma-glutamyl-
  • l-gamma-glu-l-dcvc
  • l-gamma-glutamyl-s-(1,2-dichlorovinyl)-l-cysteine
  • s-(1,2-dichloroethenyl)-n-l-gamma-glutamyl-l-cysteine
CAS Number(s)
  • 142678-05-5
InChIKey MNMCREGVBDLIDT-ZKNKFSEWSA-N
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