Methyl N-(Carboxymethyl)-N-(3-Phenylpropanoyl)Glycyl-D-Histidinate

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Properties Simple | Detailed

Formula C20H24N4O6
IUPAC Name 2-[[2-[[(1r)-1-(imidazol-1-ium-3-id-4-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]-(3-phenylpropanoyl)amino]acetic acid
Molecular Mass 416.428 g·mol−1
Heat of Formation -902.4 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 494.82 Å 3
Surface Area 430.16 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
InChIKey FTBNIEVYMZAOPN-MRXNPFEDSA-N
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