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

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Formula C49H63N7O7
IUPAC Name methyl n-[(1s)-1-[[(1r,3s,4s)-3-hydroxy-4-[[(2s)-2-[3-[[6-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]methyl]-2-oxo-imidazole-1,3-diium-1-yl]-3,3-dimethyl-butanoyl]amino]-5-phenyl-1-[[4-(2-pyridyl)phenyl]methyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 862.067 g·mol−1
Heat of Formation -1096.5 ± 16.7 kJ·mol−1
Dipole Moment 0.67 ± 1.08 D
Volume 1103.73 Å 3
Surface Area 789.26 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey DGOQHVJXKUNDDW-MTXKAQRHSA-N
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