(3S)-3-({[(5S)-2-{2-[(1H-Benzimidazol-5-Ylcarbonyl)Amino]Ethyl}-7-(Cyclohexylmethyl)-1,3-Dioxo-2,3,5,8-Tetrahydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazin-5-Yl]Carbonyl}Amino)-4-Oxopentanoic Acid

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Formula C29H35N7O7
IUPAC Name (3s)-3-[[(8s)-2-[2-(3h-benzimidazole-5-carbonylamino)ethyl]-6-(cyclohexylmethyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carbonyl]amino]-4-oxo-pentanoic acid
Molecular Mass 593.631 g·mol−1
Heat of Formation -995.6 ± 16.7 kJ·mol−1
Dipole Moment 11.18 ± 1.08 D
Volume 689.9 Å 3
Surface Area 538.91 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey CSBIJWXSABAIKK-UPVQGACJSA-N
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