Analyte Name

7-Deschlorolifitegrast

CAS Number

2322380-18-5

Molecular Formula

C29H25ClN2O7S

Molecular Weight

581.04

SMILES

O=C(C1=CC2=C(C=C1)C=CO2)N3CC4=C(CC3)C([H])=C(C(N[C@H](C(O)=O)CC5=CC(S(C)(=O)=O)=CC=C5)=O)C(Cl)=C4

InChI

InChI=1S/C29H25ClN2O7S/c1-40(37,38)22-4-2-3-17(11-22)12-25(29(35)36)31-27(33)23-13-19-7-9-32(16-21(19)14-24(23)30)28(34)20-6-5-18-8-10-39-26(18)15-20/h2-6,8,10-11,13-15,25H,7,9,12,16H2,1H3,(H,31,33)(H,35,36)/t25-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat