Methyl D-α-Aspartyl-D-Phenylalaninate

Molecule SVG Image

Properties Simple | Detailed

Formula C14H18N2O5
IUPAC Name (3r)-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 -856.6 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 355.25 Å 3
Surface Area 308.6 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-ammonio-4-[[(1r)-1-(benzyl)-2-keto-2-methoxy-ethyl]amino]-4-keto-butyrate
  • (3r)-3-ammonio-4-[[(1r)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutanoate
  • (3r)-3-azaniumyl-4-[[(1r)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-butanoate
  • (3r)-3-azaniumyl-4-[[(2r)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoate
  • (3r)-3-azaniumyl-4-[[(2r)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate
InChIKey IAOZJIPTCAWIRG-GHMZBOCLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N