N-{[5-(1-Benzofuran-2-Yl)-2-Thienyl]Methyl}-N-(2,4-Dichlorobenzoyl)-L-Phenylalanine

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Properties Simple | Detailed

Formula C29H21Cl2NO4S
IUPAC Name (2s)-2-[[5-(benzofuran-2-yl)-2-thienyl]methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoic acid
Molecular Mass 550.452 g·mol−1
Heat of Formation -298.0 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 595.55 Å 3
Surface Area 464.78 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichlorobenzoyl)-amino]-3-phenyl-propionic acid
  • (2s)-2-[[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoic acid
  • (2s)-2-[[5-(1-benzofuran-2-yl)thiophen-2-yl]methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid
  • (2s)-2-[[5-(2-benzofuranyl)-2-thienyl]methyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[5-(benzofuran-2-yl)-2-thienyl]methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoic acid
  • (2s)-2-[[5-(benzofuran-2-yl)-2-thienyl]methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propionic acid
  • l-phenylalanine, n-[[5-(2-benzofuranyl)-2-thienyl]methyl]-n-(2,4-dichlorobenzoyl)-
InChIKey YBULOUKTPCHXAL-DEOSSOPVSA-N
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