3-(1H-Imidazol-2-Ylmethyl)-N-{[(2S)-5-Oxo-2-Pyrrolidinyl]Carbonyl}-N-{[(2S)-1-Pentyl-2-Pyrrolidinyl]Carbonyl}-L-Histidinamide

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Properties Simple | Detailed

Formula C25H36N8O4
IUPAC Name (2r)-n-[(2s)-2-amino-3-[1-(imidazol-1-ium-2-ylium-2-ylmethyl)-4h-imidazole-4,5-diylium-5-yl]propanoyl]-5-oxo-n-[(1r,2s)-1-pentylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Molecular Mass 512.605 g·mol−1
Heat of Formation -514.8 ± 16.7 kJ·mol−1
Dipole Moment 9.52 ± 1.08 D
Volume 631.29 Å 3
Surface Area 458.31 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey RESILIOYOJMCAR-ZCNNSNEGSA-N
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