1-({(2S,3R)-3-Amino-2-Hydroxy-4-[4-(Methylsulfonyl)Phenyl]Butanoyl}Amino)Cyclopentanecarboxylic Acid

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Properties Simple | Detailed

Formula C17H24N2O6S
IUPAC Name 1-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentanecarboxylic acid
Molecular Mass 384.447 g·mol−1
Heat of Formation -1044.0 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 439.31 Å 3
Surface Area 374.89 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(2s,3r)-3-amino-2-hydroxy-4-(4-mesylphenyl)butanoyl]amino]cyclopentane-1-carboxylic acid
  • 1-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-1-cyclopentanecarboxylic acid
  • 1-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentane-1-carboxylic acid
  • cyclopentanecarboxylic acid, 1-((3-amino-2-hydroxy-4-(4-(methylsulfonyl)phenyl)-1-oxobutyl)amino)-, (s-(r*,s*))-
  • n-((2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl)-1-aminocyclopentanecarboxylic acid
  • z 4212
  • z-4212
CAS Number(s)
  • 125483-43-4
InChIKey XJLNLWXPEXKWNZ-KGLIPLIRSA-N
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