title: [Aib5,6-D-Ala8]-cyclolinopeptide A, grown from a benzene/acetonitrile mixture.
abstract: cyclo-(Prolyl-prolyl-phenylalanyl-phenylalanyl- alpha-aminoisobutyryl-alpha-aminoisobutyryl-isoleucyl-D-alan yl-valyl) ([Aib5,6-D-Ala8]-cyclolinopeptide A), grown from benzene/acetonitrile mixture, crystallizes with one acetonitrile and two water molecules. The molecular structure is almost identical to that obtained from methanol/water. The dimension of the solvent channels found in these structures is reduced in the present one, but the intramolecular hydrogen-bond pattern is preserved. The Pro1-Pro2 peptide unit is cis (omega = 8 degrees); all others are trans.
authors.affiliation: Università di Napoli Federico II, Dipartimento di Chimica, Italy.
authors.forename: M
authors.initials: M
authors.lastname: Saviano
authors.forename: F
authors.initials: F
authors.lastname: Rossi
authors.forename: M
authors.initials: M
authors.lastname: Filizola
authors.forename: B
authors.initials: B
authors.lastname: Di Blasio
authors.forename: C
authors.initials: C
authors.lastname: Pedone
mesh_terms: D000097:Acetonitriles; D000595:Amino Acid Sequence; D001554:Benzene; D003460:Crystallization; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010456:Peptides, Cyclic / Q000737:chemistry*
chemical_list: D000097:Acetonitriles; D010456:Peptides, Cyclic; C055018:cyclolinopeptide A; D001554:Benzene; C032159:acetonitrile