N~2~-[(2S)-2-{[1-(4-Carboxybenzyl)-1H-1,2,3-Triazol-4-Yl]Methyl}-3-Methylbutanoyl]-L-Lysine

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Formula C22H31N5O5
IUPAC Name 4-[[4-[(2s)-2-[[(1s)-5-amino-1-carboxy-pentyl]carbamoyl]-3-methyl-butyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]methyl]benzoic acid
Molecular Mass 445.512 g·mol−1
Heat of Formation -746.7 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 553.25 Å 3
Surface Area 468.38 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey ZFYKXBBWZOQIRM-OALUTQOASA-N
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