(2R,5S,6R)-6-Amino-5-Hydroxy-2-Isobutyl-4-Oxo-7-Phenylheptanoic Acid

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Formula C17H25NO4
IUPAC Name (2r,5s,6r)-6-amino-5-hydroxy-2-isobutyl-4-oxo-7-phenyl-heptanoic acid
Molecular Mass 307.385 g·mol−1
Heat of Formation -796.6 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 390.49 Å 3
Surface Area 305.76 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5s,6r)-6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenyl-heptanoic acid
  • (2r,5s,6r)-6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid
  • (2r,5s,6r)-6-amino-5-hydroxy-2-isobutyl-4-keto-7-phenyl-enanthic acid
  • (2r,5s,6r)-6-amino-5-hydroxy-2-isobutyl-4-oxo-7-phenyl-heptanoic acid
  • 6-amino-5-hydroxy-2-isobutyl-4-oxo-7-phenylheptanoic acid
  • ketomethylenebestatin
CAS Number(s)
  • 137028-97-8
InChIKey ZPQDBPWAVIVFGP-FMKPAKJESA-N
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