(6S)-1-(4-Amino-3-Methylbenzyl)-5-(Diphenylacetyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C29H28N4O3
IUPAC Name (6s)-1-[(4-amino-3-methyl-phenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4h-imidazo[4,5-c]pyridine-6-carboxylic acid
Molecular Mass 480.558 g·mol−1
Heat of Formation -162.5 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 583.16 Å 3
Surface Area 424.97 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-1-(4-amino-3-methyl-benzyl)-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-amino-3-methyl-phenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-amino-3-methyl-phenyl)methyl]-5-[2,2-di(phenyl)ethanoyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • (6s)-1-[(4-amino-3-methylphenyl)methyl]-5-[1-oxo-2,2-di(phenyl)ethyl]-6,7-dihydro-4h-imidazo[5,4-d]pyridine-6-carboxylic acid
  • pd123177
InChIKey KLVDUSUYBDMJKR-SANMLTNESA-N
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