Analyte Name

(E)-N-((1-(2-(2,4-difluorobenzoyl)benzoyl)-4-(2-methylpropyl-((2-phenylphenyl)methyl)amino)pyrrolidin-2-yl)methyl)-3-(4-((E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl)phenyl)prop-2-enamide

CAS Number

337307-06-9

Molecular Formula

C49 H44 F2 N4 O5 S

Molecular Weight

838.959

Accurate Mass

838.3

SMILES

CC(C)CN(Cc1ccccc1c2ccccc2)C3CC(CNC(=O)\C=C\c4ccc(\C=C/5\SC(=O)NC5=O)cc4)N(C3)C(=O)c6ccccc6C(=O)c7ccc(F)cc7F

InChI

InChI=1S/C49H44F2N4O5S/c1-31(2)28-54(29-35-12-6-7-13-39(35)34-10-4-3-5-11-34)38-26-37(27-52-45(56)23-20-32-16-18-33(19-17-32)24-44-47(58)53-49(60)61-44)55(30-38)48(59)41-15-9-8-14-40(41)46(57)42-22-21-36(50)25-43(42)51/h3-25,31,37-38H,26-30H2,1-2H3,(H,52,56)(H,53,58,60)/b23-20+,44-24+

IUPAC

(E)-N-[[1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat