Nombre del analito

5-Deschloro-5-bromo Lifitegrast

Fórmula molecular

C29 H24 Br Cl N2 O7 S

Peso molecular

659.932

Masa exacta

658.018

SMILES

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Br)cc3CN(CCc3c2Cl)C(=O)c4ccc5ccoc5c4)C(=O)O)c1

InChI

InChI=1S/C29H24BrClN2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1

IUPAC

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-7-bromo-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat