Lefradafiban

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Formula C23H25N3O6
IUPAC Name methyl 2-[(3s,5s)-5-[[4-[4-[(z)-n'-methoxycarbonylcarbamimidoyl]phenyl]phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate
Molecular Mass 439.461 g·mol−1
Heat of Formation -836.1 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 511.27 Å 3
Surface Area 459.71 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3s,5s)-5-[[4-[4-(n'-carbomethoxycarbamimidoyl)phenyl]phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid methyl ester
  • 2-[(3s,5s)-5-[[4-[4-[(z)-amino-methoxycarbonyliminomethyl]phenyl]phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid methyl ester
  • 3-pyrrolidineacetic acid, 5-(((4'-(imino((methoxycarbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-, methyl ester, (3s-trans)-
  • 5-((((4'-(imino(methoxycarbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-pyrrolidineacetic acid, methyl ester
  • methyl (3s-trans)-5-(((4'-(imino((methoxycarbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-3-pyrrolidineacetate
  • methyl 2-[(3s,5s)-5-[[4-[4-(n'-methoxycarbonylcarbamimidoyl)phenyl]phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate
  • methyl 2-[(3s,5s)-5-[[4-[4-(n'-methoxycarbonylcarbamimidoyl)phenyl]phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]ethanoate
  • methyl 2-[(3s,5s)-5-[[4-[4-(n'-methoxycarbonylcarbamimidoyl)phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate
  • methyl 5-(((4'-(imino((methoxycarbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-3-pyrrolidineacetate (3s-trans)-
CAS Number(s)
  • 149503-79-7
InChIKey PGCFXITVMNNKON-ROUUACIJSA-N
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