2-Methyl-2-Propanyl {(2S)-1-[Cyclohexyl(Cyclohexylcarbamoyl)Amino]-1-Oxo-2-Propanyl}Carbamate

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Properties Simple | Detailed

Formula C21H37N3O4
IUPAC Name tert-butyl n-[(1s)-2-[cyclohexyl(cyclohexylcarbamoyl)amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 395.536 g·mol−1
Heat of Formation -1017.8 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 515.54 Å 3
Surface Area 411.11 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • bocadchu
  • n-(n(alpha)-(t-butyloxycarbonyl)-l-alanyl)-n,n'-dicyclohexylurea
  • n-[(1s)-2-(cyclohexyl-(cyclohexylcarbamoyl)amino)-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-2-(cyclohexyl-(cyclohexylcarbamoyl)amino)-1-methyl-2-oxo-ethyl]carbamate
  • tert-butyl n-[(2s)-1-(cyclohexyl-(cyclohexylcarbamoyl)amino)-1-oxopropan-2-yl]carbamate
CAS Number(s)
  • 4909-43-7
InChIKey BZPZSEYSAKUKKE-HNNXBMFYSA-N
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