(2R)-5-{[(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-({1-[3-(2-Methyl-2-Propanyl)Phenyl]Cyclohexyl}Amino)-2-Butanyl]Amino}-2-Hydroxy-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C31H42F2N2O5
IUPAC Name (2r)-5-[[(1s,2r)-3-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]amino]-2-hydroxy-5-oxo-pentanoic acid
Molecular Mass 560.672 g·mol−1
Heat of Formation -1416.0 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 692.02 Å 3
Surface Area 513.96 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey ZQBAKJWCBZPMKW-OYUWMTPXSA-N
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