(3S)-3-Ammonio-4-{[(2R)-1-Methoxy-1-Oxo-3-Phenyl-2-Propanyl]Amino}-4-Oxobutanoate

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Properties Simple | Detailed

Formula C14H18N2O5
IUPAC Name (3s)-3-amino-4-[[(1r)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 294.303 g·mol−1
Heat of Formation -874.5 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 350.05 Å 3
Surface Area 300.96 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-4-[[(1r)-1-(benzyl)-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid
  • (3s)-3-amino-4-[[(1r)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(1r)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutanoic acid
  • (3s)-3-amino-4-[[(2r)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(2r)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChIKey IAOZJIPTCAWIRG-WDEREUQCSA-N
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