Methyl [(2S)-1-({(2R,4S,5S)-5-{[(2S)-3,3-Dimethyl-2-{3-[(6-Methyl-2-Pyridinyl)Methyl]-2-Oxo-2,3-Dihydro-1H-Imidazol-1-Yl}Butanoyl]Amino}-4-Hydroxy-6-Phenyl-1-[4-(2-Pyridinyl)Phenyl]-2-Hexanyl}Amino)-3,3-Dimethyl-1-Oxo-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C47H59N7O6
IUPAC Name methyl n-[(1s)-1-[[(1r,3s,4s)-4-[[(2s)-3,3-dimethyl-2-[3-[(6-methyl-2-pyridyl)methyl]-2-oxo-imidazole-1,3-diium-1-yl]butanoyl]amino]-3-hydroxy-5-phenyl-1-[[4-(2-pyridyl)phenyl]methyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 818.015 g·mol−1
Heat of Formation -877.6 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 1038.69 Å 3
Surface Area 738.05 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey BTNNHZWTVQDFCK-YPINIOOUSA-N
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