5-[(2S)-2-{[(1H-Imidazol-4-Ylacetyl)Amino]Methyl}-4-Methylpentyl]-1,3-Benzodioxole-4-Carboxylic Acid

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Formula C20H25N3O5
IUPAC Name 5-[(2s)-2-[[(2-imidazol-1-ium-4-ylium-4-ylacetyl)amino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
Molecular Mass 387.430 g·mol−1
Heat of Formation -745.3 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 462.84 Å 3
Surface Area 379.45 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey CHUQQKDYOQZYHZ-ZDUSSCGKSA-N
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