1-[N-(4-Cyanobenzyl)-3-Methyl-L-Histidyl]-5-(1-Naphthyl)-1,2,3,6-Tetrahydro-4-Pyridinecarbonitrile

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Properties Simple | Detailed

Formula C31H28N6O
IUPAC Name 1-[(2s)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-5-(1-naphthyl)-3,6-dihydro-2h-pyridine-4-carbonitrile
Molecular Mass 500.594 g·mol−1
Heat of Formation 521.2 ± 16.7 kJ·mol−1
Dipole Moment 9.81 ± 1.08 D
Volume 620.51 Å 3
Surface Area 505.56 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s)-2-[(4-cyanobenzyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]-3-(1-naphthyl)-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[(2s)-2-[(4-cyanophenyl)methylamino]-3-(3-methyl-4-imidazolyl)-1-oxopropyl]-3-(1-naphthyl)-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[(2s)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-3-(1-naphthyl)-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[(2s)-2-[(4-cyanophenyl)methylamino]-3-(3-methylimidazol-4-yl)propanoyl]-3-naphthalen-1-yl-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
InChIKey ADDOXKIOPBTSEG-PMERELPUSA-N
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