TY - JOUR
T1 - {4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido] butyl}guanidinium chloride
T2 - A model of a graftable thrombin inhibitor
AU - Michaux, Catherine
AU - Salvagnini, Claudio
AU - Norberg, Bernadette
AU - Marchand-Brynaert, Jacqueline
AU - Wouters, Johan
PY - 2006/12/1
Y1 - 2006/12/1
N2 - In the title compound, C18H27F3N 5O3S+·Cl-, the guanidine group forms N-H⋯Cl hydrogen bonds, with four N⋯Cl distances in the range 3.164 (3)-3.337 (4) Å. In the crystal packing, the cations are further linked by N-H⋯O and C-H⋯O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.
AB - In the title compound, C18H27F3N 5O3S+·Cl-, the guanidine group forms N-H⋯Cl hydrogen bonds, with four N⋯Cl distances in the range 3.164 (3)-3.337 (4) Å. In the crystal packing, the cations are further linked by N-H⋯O and C-H⋯O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.
UR - http://www.scopus.com/inward/record.url?scp=33845433339&partnerID=8YFLogxK
U2 - 10.1107/S0108270106047640
DO - 10.1107/S0108270106047640
M3 - Article
C2 - 17148914
AN - SCOPUS:33845433339
SN - 0108-2701
VL - 62
SP - o691-o693
JO - Acta crystallographica Section C: Crystal Structure communications
JF - Acta crystallographica Section C: Crystal Structure communications
IS - 12
ER -