N-{1-Carboxy-1-[Histidyl(Methyl)Amino]-2-Propanyl}Histidine

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Properties Simple | Detailed

Formula C17H25N7O5
IUPAC Name (2r,3r)-2-[[(2r)-2-amino-3-imidazol-3-ium-4-ylium-4-yl-propanoyl]-methyl-amino]-3-[[(1s)-1-carboxy-2-imidazol-4-yl-ethyl]amino]butanoic acid
Molecular Mass 407.424 g·mol−1
Heat of Formation -717.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 483.46 Å 3
Surface Area 383.63 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
InChIKey LMUHIYQHLMCRNZ-WBMYTEFPSA-N
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Elements H C O N