TY - JOUR
T1 - Crystal and molecular structure of tert-butoxycarbonyl-α-aminoisobutyryl-isoleucyl-methylester
AU - Nilofarnissa, M.
AU - Banumathi, S.
AU - Velmurugan, D.
AU - Ramasubbu, N.
PY - 2000
Y1 - 2000
N2 - 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.
AB - 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.
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U2 - 10.1002/1521-4079(200003)35:3<333::AID-CRAT333>3.0.CO;2-P
DO - 10.1002/1521-4079(200003)35:3<333::AID-CRAT333>3.0.CO;2-P
M3 - Article
AN - SCOPUS:0033736625
SN - 0232-1300
VL - 35
SP - 333
EP - 341
JO - Crystal Research and Technology
JF - Crystal Research and Technology
IS - 3
ER -