Methyl N-Benzyl-N-(Carboxymethyl)Glycyl-L-Histidinate

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Properties Simple | Detailed

Formula C18H22N4O5
IUPAC Name 2-[benzyl-[2-[[(1s)-1-(4h-imidazol-1-ium-4-ylium-5-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]acetic acid
Molecular Mass 374.391 g·mol−1
Heat of Formation -704.8 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 438.41 Å 3
Surface Area 376.07 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey VJXRDRMNYWCCEG-HNNXBMFYSA-N
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