N-[(2S,3R)-3-Amino-2-Hydroxy-4-(4-Hydroxyphenyl)Butanoyl]-L-Leucine

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Properties Simple | Detailed

Formula C16H24N2O5
IUPAC Name (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methyl-pentanoic acid
Molecular Mass 324.372 g·mol−1
Heat of Formation -946.5 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 404.62 Å 3
Surface Area 345.28 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)-1-oxobutyl]amino]-4-methylpentanoic acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methyl-valeric acid
  • (2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-4-methylpentanoic acid
  • bestatin, p-hydroxy
  • p-hydroxybestatin
CAS Number(s)
  • 70267-76-4
InChIKey FRMXVEDKXFUWRZ-RDBSUJKOSA-N
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