N-(Descarboxybenzofurane)-N-4-carboxy-3-hydroxybenzoyl Lifitegrast

Analyte Name

N-(Descarboxybenzofurane)-N-4-carboxy-3-hydroxybenzoyl Lifitegrast

Molecular Formula

C28H24Cl2N2O9S

Molecular Weight

635.46

Accurate Mass

634.058

SMILES

CS(C1=CC=CC(C[C@@H](C(O)=O)NC(C2=C(Cl)C=C(CN(C(C3=CC(O)=C(C(O)=O)C=C3)=O)CC4)C4=C2Cl)=O)=C1)(=O)=O

InChI

InChI=1S/C28H24Cl2N2O9S/c1-42(40,41)17-4-2-3-14(9-17)10-21(28(38)39)31-25(34)23-20(29)11-16-13-32(8-7-18(16)24(23)30)26(35)15-5-6-19(27(36)37)22(33)12-15/h2-6,9,11-12,21,33H,7-8,10,13H2,1H3,(H,31,34)(H,36,37)(H,38,39)/t21-/m0/s1

IUPAC

(S)-4-(6-((1-carboxy-2-(3-(methylsulfonyl)phenyl)ethyl)carbamoyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2-hydroxybenzoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat