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

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Properties Simple | Detailed

Formula C43H57N7O5
IUPAC Name n-[(1s)-2-[[(1s)-1-benzyl-2-[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(4h-imidazol-3-ium-4-ylium-5-ylmethyl)-2-oxo-ethyl]undecanamide
Molecular Mass 751.957 g·mol−1
Heat of Formation -801.6 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 976.27 Å 3
Surface Area 759.45 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey KGRSUMUKTYCXCP-IGMOWHQGSA-N
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