N-{(2S,3R)-3-Amino-2-Hydroxy-4-[4-(Methylsulfonyl)Phenyl]Butanoyl}-L-Leucine

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Properties Simple | Detailed

Formula C17H26N2O6S
IUPAC Name (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-4-methyl-pentanoic acid
Molecular Mass 386.463 g·mol−1
Heat of Formation -1099.7 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 457.08 Å 3
Surface Area 389.81 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-mesylphenyl)butanoyl]amino]-4-methyl-valeric acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-4-methylpentanoic acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-4-methylpentanoic acid
  • l-leucine, n-(3-amino-2-hydroxy-4-(4-(methylsulfonyl)phenyl)-1-oxobutyl)-, (s-(r*,s*))-
  • n-(3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl)leucine
  • z 1796
  • z-1796
CAS Number(s)
  • 125483-62-7
InChIKey FUAANNLYEGVRHF-ILXRZTDVSA-N
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