[(3S,5S)-5-{[(4'-Carbamimidoyl-4-Biphenylyl)Oxy]Methyl}-2-Oxo-3-Pyrrolidinyl]Acetic Acid

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Properties Simple | Detailed

Formula C20H21N3O4
IUPAC Name 2-[(3s,5s)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid
Molecular Mass 367.398 g·mol−1
Heat of Formation -489.4 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 435.89 Å 3
Surface Area 395.92 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s)-5-(((4'-amidino-4-biphenylyl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid
  • 2-[(3s,5s)-5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid
  • 2-[(3s,5s)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid
  • 2-[(3s,5s)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid
  • 2-[(3s,5s)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]ethanoic acid
  • 2-[(3s,5s)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid
  • fradafiban
CAS Number(s)
  • 148396-36-5
InChIKey IKZACQMAVUIGPY-HOTGVXAUSA-N
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