(2Z)-4-{[(2S)-1-Methoxy-1-Oxo-3-Phenyl-2-Propanyl]Amino}-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C14H15NO5
IUPAC Name (z)-4-[[(1s)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-but-2-enoic acid
Molecular Mass 277.273 g·mol−1
Heat of Formation -765.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 326.24 Å 3
Surface Area 280.84 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-4-[[(1s)-1-(benzyl)-2-keto-2-methoxy-ethyl]amino]-4-keto-but-2-enoic acid
  • (z)-4-[[(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxo-but-2-enoic acid
  • (z)-4-[[(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobut-2-enoic acid
  • (z)-4-[[(2s)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-but-2-enoic acid
  • (z)-4-[[(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
  • l-phenylalanine, n-(3-carboxy-1-oxo-2-propenyl)-, alpha-methyl ester, (z)-
  • m-phe-me
  • maleylphenylalanine methyl ester
CAS Number(s)
  • 50997-19-8
InChIKey INPNITFMOVYAHI-TVRMLOFPSA-N
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