(3S)-3-Hydroxy-4-({(2S)-4-Methyl-1-[(3-Methylbutyl)Amino]-1-Oxo-2-Pentanyl}Amino)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C15H28N2O5
IUPAC Name (3s)-3-hydroxy-4-[[(1s)-1-(isopentylcarbamoyl)-3-methyl-butyl]amino]-4-oxo-butanoic acid
Molecular Mass 316.393 g·mol−1
Heat of Formation -1181.3 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 413.25 Å 3
Surface Area 361.94 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-hydroxy-4-[[(1s)-1-(isoamylcarbamoyl)-3-methyl-butyl]amino]-4-keto-butyric acid
  • (3s)-3-hydroxy-4-[[(1s)-1-(isopentylcarbamoyl)-3-methyl-butyl]amino]-4-oxo-butanoic acid
  • (3s)-3-hydroxy-4-[[(1s)-1-[(isopentylamino)-oxomethyl]-3-methylbutyl]amino]-4-oxobutanoic acid
  • (3s)-3-hydroxy-4-[[(2s)-4-methyl-1-(3-methylbutylamino)-1-oxo-pentan-2-yl]amino]-4-oxo-butanoic acid
  • (3s)-3-hydroxy-4-[[(2s)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
  • n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
InChIKey KBIWEWPGBHKYML-RYUDHWBXSA-N
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