N-Acetyl-L-Leucyl-N-[(4S,5S,7R)-8-(Butylamino)-5-Hydroxy-2,7-Dimethyl-8-Oxo-4-Octanyl]-L-Methioninamide

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Formula C27H52N4O5S
IUPAC Name (2r,4s,5s)-5-[[(2s)-2-[[(2s)-2-acetamido-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-n-butyl-4-hydroxy-2,7-dimethyl-octanamide
Molecular Mass 544.791 g·mol−1
Heat of Formation -1319.1 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 728.65 Å 3
Surface Area 614.75 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey PEWRQHFGBBTOMS-FFYZIMEISA-N
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