N~2~-{[(1S)-1-Carboxy-2-(4-Pyridinyl)Ethyl]Carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine

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Formula C22H26IN4O6
IUPAC Name (2s)-2-[[(1s)-1-carboxy-2-(3h-pyridin-1-ium-3-id-4-yl)ethyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid
Molecular Mass 569.370 g·mol−1
Heat of Formation -914.0 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 574.81 Å 3
Surface Area 423.05 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey AHYKHJQLXJPPOS-ROUUACIJSA-N
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