Butyl N-[(4E)-5-(2-Furyl)-3-Oxo-4-Penten-1-Yl]-L-Phenylalaninate

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Properties Simple | Detailed

Formula C22H27NO4
IUPAC Name butyl (2s)-2-[[(e)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-3-phenyl-propanoate
Molecular Mass 369.454 g·mol−1
Heat of Formation -479.0 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 473.93 Å 3
Surface Area 414.94 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(e)-5-(2-furyl)-3-keto-pent-4-enyl]amino]-3-phenyl-propionic acid butyl ester
  • (2s)-2-[[(e)-5-(2-furyl)-3-oxopent-4-enyl]amino]-3-phenylpropanoic acid butyl ester
  • (e)-n-(5-(2-furanyl)-3-oxo-4-pentenyl)-l-phenylalanine butyl ester
  • butyl (2s)-2-[[(e)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-3-phenyl-propanoate
  • butyl (2s)-2-[[(e)-5-furan-2-yl-3-oxo-pent-4-enyl]amino]-3-phenyl-propanoate
  • butyl (2s)-2-[[(e)-5-furan-2-yl-3-oxopent-4-enyl]amino]-3-phenylpropanoate
  • l-phenylalanine, n-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (e)-
  • n-(3'-oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester
CAS Number(s)
  • 159086-03-0
InChIKey MDNDOHPJDIDCLS-VIOKTNGOSA-N
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