The desoxazoline asidiacyclamide analogue cyclo(Gly–Thr–D-Val–Thz–Ile–Thr–D-Val–Thz) acetonitrile monosolvate

The title peptide [systematic name: 4-(butan-2-yl)-7,20-bis­(1-hy­droxy­eth­yl)-10,23-bis­(propan-2-yl)-12,25-dithia-3,6,9,16,19,22,27,28-octa­aza­tricyclo­[22.2.1.1^11,14]octa­cosa-1(26),11(28),13,24(27)-tetra­ene-2,5,8,15,18,21-hexone acetonitrile monosolvate], C₃₂H₄₈N₈O₈S₂·CH₃CN, an analogue of ascidiacyclamide (ASC) [cyclo(–Ile–Oxz–D-Val–Thz–)₂], lies about a twofold rotation axis, so that the glycine (Gly) and isoleucine (Ile) residues are each disordered over two sites with equal occupancies. The acetonitrile mol­ecule is also located on a twofold axis passing through the C and N atoms. In the peptide, the thia­zole rings are faced to each other with a dihedral angle of 9.63 (15)° and intra­molecular N—H...O and O—H...O hydrogen bonds are observed. A bifurcated N—H...(O,O) hydrogen bond links the peptide mol­ecules into a layer parallel to the ab plane.