(2E)-4-[(N-Acetyl-L-Phenylalanyl)Amino]-2-Butenoic Acid

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Properties Simple | Detailed

Formula C15H18N2O4
IUPAC Name (e)-4-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]but-2-enoic acid
Molecular Mass 290.314 g·mol−1
Heat of Formation -652.2 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 362.2 Å 3
Surface Area 314.76 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[[(2s)-2-acetamido-1-oxo-3-phenylpropyl]amino]but-2-enoic acid
  • (e)-4-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]but-2-enoic acid
  • (e)-4-[[(2s)-2-acetamido-3-phenylpropanoyl]amino]but-2-enoic acid
  • 2-butenoic acid, 4-((2-(acetylamino)-1-oxo-3-phenylpropyl)amino)-, (2s-trans)-
  • 4-((n-acetylphenylalanyl)amino)-but-2-enoic acid methyl ester
  • mapheb
  • methyl 4-((n-acetylphenylalanyl)amino)but-2-enoate
CAS Number(s)
  • 89711-04-6
InChIKey ASUSNOUQHQMQFW-LJLILKBBSA-N
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