Methyl N-[3-(3-Hydroxy-4-Methoxyphenyl)Propyl]-L-α-Aspartyl-L-Phenylalaninate

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Properties Simple | Detailed

Formula C24H30N2O7
IUPAC Name (3s)-4-[[(1s)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-oxo-butanoic acid
Molecular Mass 458.504 g·mol−1
Heat of Formation -1113.5 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 563.92 Å 3
Surface Area 477.42 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-[[(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-[[(2s)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid
  • (3s)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutanoic acid
  • (3s)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
  • (3s)-4-[[(1s)-1-(benzyl)-2-keto-2-methoxy-ethyl]amino]-3-[3-(3-hydroxy-4-methoxy-phenyl)propylamino]-4-keto-butyric acid
InChIKey YTKBWWKAVMSYHE-OALUTQOASA-N
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