(5E)-6-[M-(3-Tert-Butyl-2-Cyanoguanidino)Phenyl]-6-(3-Pyridyl)-5-Hexenoic Acid

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Formula C23H27N5O2
IUPAC Name (e)-6-[3-[[(z)-n'-tert-butyl-n-cyano-carbamimidoyl]amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid
Molecular Mass 405.493 g·mol−1
Heat of Formation -24.8 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 520.0 Å 3
Surface Area 408.25 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-6-(m-(3-tert-butyl-2-cyanoguanidino)phenyl)-6-(3-pyridyl)-5-hexenoic acid
  • (e)-6-[3-[(n'-tert-butyl-n-cyano-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid
  • (e)-6-[3-[(n'-tert-butyl-n-cyano-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid
  • (e)-6-[3-[(n'-tert-butyl-n-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
  • (e)-6-[3-[[tert-butylimino-(cyanoamino)methyl]amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid
  • 6-(3-(((cyanoamino)((1,1-dimethylethyl)amino)methylene)amino)phenyl)-6-(3-pyridinyl)hexenoic acid
  • bibv 308 se
  • d06077
  • terbogrel
  • terbogrel (usan)
CAS Number(s)
  • 149979-74-8
InChIKey XUTLOCQNGLJNSA-RGVLZGJSSA-N
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