N-Undecanoyl-L-Histidyl-L-Histidyl-N-Methyl-N-[2-(2-Pyridinyl)Ethyl]-L-Tyrosinamide

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Formula C40H55N9O5
IUPAC Name n-[(1s)-2-[[(1s)-2-[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]amino]-1-(4h-imidazol-3-ium-4-ylium-5-ylmethyl)-2-oxo-ethyl]amino]-1-(4h-imidazol-1-ium-4-ylium-5-ylmethyl)-2-oxo-ethyl]undecanamide
Molecular Mass 741.922 g·mol−1
Heat of Formation -734.8 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 955.15 Å 3
Surface Area 754.27 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey XTWPUBVVNIJMOQ-KVBYWJEESA-N
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