(1R,2S,5S)-N-[(2S)-4-Amino-1-Cyclobutyl-3,4-Dioxo-2-Butanyl]-6,6-Dimethyl-3-{3-Methyl-N-[(2-Methyl-2-Propanyl)Carbamoyl]-L-Valyl}-3-Azabicyclo[3.1.0]Hexane-2-Carboxamide

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Properties Simple | Detailed

Formula C27H45N5O5
IUPAC Name (1s,4s,5r)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide
Molecular Mass 519.677 g·mol−1
Heat of Formation -1001.6 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 684.27 Å 3
Surface Area 506.26 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-diketo-propyl]-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-[[(tert-butylamino)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1r,2s,5s)-n-[(2s)-4-amino-1-cyclobutyl-3,4-dioxo-butan-2-yl]-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1r,2s,5s)-n-[(2s)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]-3-[(2s)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
InChIKey LHHCSNFAOIFYRV-ZYNAIFEFSA-N
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