(3R)-3-Phenyl-3-[({4-[4-(4-Pyridinyl)Phenyl]-2-Thienyl}Carbonyl)Amino]Propanoic Acid

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Properties Simple | Detailed

Formula C25H20N2O3S
IUPAC Name (3r)-3-phenyl-3-[[4-[4-(4-pyridyl)phenyl]thiophene-2-carbonyl]amino]propanoic acid
Molecular Mass 428.503 g·mol−1
Heat of Formation -120.8 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 497.0 Å 3
Surface Area 442.43 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid
  • (3r)-3-[[oxo-[4-[4-(4-pyridyl)phenyl]-2-thienyl]methyl]amino]-3-phenylpropanoic acid
  • (3r)-3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonylamino]propanoic acid
  • (3r)-3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophene-2-carbonyl]amino]propanoic acid
  • (3r)-3-phenyl-3-[[4-[4-(4-pyridyl)phenyl]thiophene-2-carbonyl]amino]propanoic acid
  • (3r)-3-phenyl-3-[[4-[4-(4-pyridyl)phenyl]thiophene-2-carbonyl]amino]propionic acid
  • 3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thien-2-yl]carbonyl}amino)propanoic acid
  • pf-00356231
InChIKey VMTJQZUZINLEKC-JOCHJYFZSA-N
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