Methyl N-{4-[(1H-Imidazol-5-Ylmethyl)Amino]-2-(1-Naphthyl)Benzoyl}-L-Leucinate

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Properties Simple | Detailed

Formula C28H30N4O3
IUPAC Name methyl (2s)-2-[[4-(imidazol-3-ium-4-ylium-4-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate
Molecular Mass 470.563 g·mol−1
Heat of Formation -236.7 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 587.97 Å 3
Surface Area 462.36 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-(3h-imidazol-4-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid methyl ester
  • (2s)-2-[[[4-(3h-imidazol-4-ylmethylamino)-2-(1-naphthyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester
  • 4-[[n-(imidazol-4-yl)methyleneamino]-2-(1-naphthyl)benzoyl]leucine methyl ester
  • ggti-2147
  • methyl (2s)-2-[[4-(3h-imidazol-4-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate
  • methyl (2s)-2-[[4-(3h-imidazol-4-ylmethylamino)-2-naphthalen-1-yl-phenyl]carbonylamino]-4-methyl-pentanoate
  • methyl (2s)-2-[[4-(3h-imidazol-4-ylmethylamino)-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate
InChIKey TUQRZGWNDBXSNP-SANMLTNESA-N
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