Analyte Name

Sodium (3R,5R)-7-(2-(4-Chlorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Molecular Formula

C33 H34 Cl N2 Na O5

Molecular Weight

597.076

Accurate Mass

596.205

SMILES

CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(Cl)cc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)O[Na]

InChI

InChI=1S/C33H35ClN2O5.Na/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-;/m1./s1

IUPAC

[(3R,5R)-7-[2-(4-chlorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]oxysodium

Alternate CAS Number

1332610-81-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat