L-α-Aspartyl-N-[(2S)-3-(1H-Imidazol-5-Yl)-2-(Methylamino)Propanoyl]-L-Alaninamide

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Properties Simple | Detailed

Formula C14H22N6O5
IUPAC Name (3r)-3-amino-4-[[(1r)-2-[[(2r)-3-imidazol-3-ium-4-ylium-4-yl-2-(methylamino)propanoyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 354.362 g·mol−1
Heat of Formation -822.7 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 424.69 Å 3
Surface Area 343.79 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
InChIKey ASXVIMLMKBBXCK-SZEHBUNVSA-N
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