{(1R)-2-Cyclobutyl-1-[({(1R,2S,5S)-3-[N-({(2S)-3,3-Dimethyl-1-[Methyl(Methylsulfonyl)Amino]-2-Butanyl}Carbamoyl)-3-Methyl-L-Valyl]-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hex-2-Yl}Carbonyl)Amino]Ethyl}Boronic Acid

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Properties Simple | Detailed

Formula C29H54BN5O7S
IUPAC Name [(1r)-2-cyclobutyl-1-[[(1s,4s,5r)-3-[(2s)-2-[[(1s)-2,2-dimethyl-1-[[methyl(methylsulfonyl)amino]methyl]propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carbonyl]amino]ethyl]boronic acid
Molecular Mass 627.644 g·mol−1
Heat of Formation -1676.2 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 806.31 Å 3
Surface Area 597.47 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
InChIKey KGZWDDBJGGJYLY-WKOLOUIMSA-N
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