Crystal and molecular structure of tert-butoxycarbonyl-α-aminoisobutyryl-isoleucyl-methylester

M. Nilofarnissa, S. Banumathi, D. Velmurugan, N. Ramasubbu

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2 Scopus citations


The crystal structure of the synthetic peptide Boc - Aib - Ile - OMe (C16 H30 N2 O5) has been determined from three-dimensional X-ray diffraction data. The peptide crystallizes in triclinic space group P1 with a = 9.570(9), b = 10.261(7), c = 10.610(2) angstroms, α = 101.9(0), β = 91.7(0), γ = 98.6(0)° V = 1006.1(12) angstroms3, Z = 2, Dcalc = 1.09 Mg m-3. The structure was solved by direct methods and refined by full-matrix least-squares method to an R value of 0.072 (λ = 1.5418 angstroms). The conformation of Aib residue in molecule A is αL and in molecule B is αR. The Ile residue in molecule A adopts folded conformation, while in molecule B it is in the extended region. The peptide units are trans and show significant deviations from planarity.

Original languageEnglish (US)
Pages (from-to)333-341
Number of pages9
JournalCrystal Research and Technology
Issue number3
StatePublished - 2000

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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