N-Benzyl-N~2~-[(2S)-2-(Hydroxycarbamoyl)-4-Methylpentanoyl]-L-α-Asparagine

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Properties Simple | Detailed

Formula C18H25N3O6
IUPAC Name (3s)-4-(benzylamino)-3-[[(2s)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid
Molecular Mass 379.408 g·mol−1
Heat of Formation -1008.1 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 454.81 Å 3
Surface Area 392.12 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[(2s)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]-4-oxo-4-(phenylmethylamino)butanoic acid
  • (3s)-3-[[(2s)-2-(hydroxycarbamoyl)-4-methylpentanoyl]amino]-4-oxo-4-(phenylmethylamino)butanoic acid
  • (3s)-3-[[(2s)-2-[(hydroxyamino)-oxomethyl]-4-methyl-1-oxopentyl]amino]-4-oxo-4-(phenylmethylamino)butanoic acid
  • (3s)-4-(benzylamino)-3-[[(2s)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]-4-keto-butyric acid
  • hmi-asp-bnn
InChIKey JXOYCIWPPBHZCO-KBPBESRZSA-N
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