(3S)-5-(2,6-Difluorophenoxy)-4-Oxo-3-{[N-(2-Quinolinylcarbonyl)-L-Valyl]Amino}Pentanoic Acid

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Formula C26H25F2N3O6
IUPAC Name (3s)-5-(2,6-difluorophenoxy)-3-[[(2s)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxo-pentanoic acid
Molecular Mass 513.490 g·mol−1
Heat of Formation -1175.2 ± 16.7 kJ·mol−1
Dipole Moment 9.90 ± 1.08 D
Volume 604.75 Å 3
Surface Area 443.39 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey OOBJCYKITXPCNS-REWPJTCUSA-N
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Elements H C N O F