Biocatalytic Routes to the GPIIb/IIIa Antagonist Lotrafiban, SB 214857

Beyond asymmetric allylic amination

“…The conformation of the N1 to C5 ring is disordered and is associated with disorder in the C7-C8 double bond. The relative occupancy refined to 0.731(8) for part1 and 0.269 (8) for part2 (the primed labels). The N1, C2, C3, C4, C5 ring is a C3 envelope and the N1, C2', C3', C4', C5' ring is a C4' envelope.…”

“…1.0(4) S1-C17-C22-C21 -176.0(2) 30.00781(19) 0.0033(2) O2 0.0464(9) 0.0424(9) 0.0420(9) 0.0008 70.0189 70.0068(7) O1 0.0408(8) 0.0608(13) 0.0462(10) 0.0009 9-0.0021 70.0017(8) N1 0.0387(9) 0.0362(10) 0.0339(9) -0.0002(8) 0.0086 (8) 0.0025(8) C2 0.059 30.042 3 0.0233(10) 0.0134(9) C10 0.0368(10) 0.0340(11) 0.0304(11) -0.0007(9) 0.0068 9-0.0031(9) C11 0.0470(12) 0.0373(12) 0.0411(12) 0.0051(10) 0.0087(10) 0.0076(10) C12 0.0416(12) 0.0425(14) 0.0436(13) -0.0036(11) 0.0120(10) 0.0058(10) C13 0.0347(10) 0.0402(12) 0.0301(11) -0.0042(10) 0.0068 9-0.0053(9) C14 0.0388(11) 0.0429(13) 0.0321(11) 0.0049(10) 0.0032 (9) 0.0002(10) C15 0.0344(11) 0.0402(12) 0.0364(12) 0.0004(10) 0.0067 (9) 0.0047(10) O13 0.0454(9) 0.0581(11) 0.0382(9) 0.0015 (8) 0.0158 7-0.0028(8) C16 0.0438(13) 0.0723 (19) .0 170 A total of 1540 frames were collected with a Bruker Nonius KappaCCD-ApexII diffractometer. The total exposure time was 19.25 hours.…”