(3S)-4-Hydroxy-3-{[(2S)-2-Isopropyl-4-{[2-(2-Methyl-1H-Benzimidazol-1-Yl)Ethyl]Amino}-4-Oxobutanoyl]Amino}Butanoic Acid

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Properties Simple | Detailed

Formula C21H30N4O5
IUPAC Name (3s)-4-hydroxy-3-[[(2s)-2-isopropyl-4-[2-(2-methylbenzimidazol-1-ium-1-yl)ethylamino]-4-oxo-butanoyl]amino]butanoic acid
Molecular Mass 418.487 g·mol−1
Heat of Formation -906.7 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 521.36 Å 3
Surface Area 434.75 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey LAXUUUDZAVTGRW-HOTGVXAUSA-N
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