Analyte Name

tert-Butyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate

CAS Number

1009119-17-8

Molecular Formula

C46 H62 N8 O6

Molecular Weight

823.034

Accurate Mass

822.479

SMILES

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

InChI

InChI=1S/C46H62N8O6/c1-27(2)37(51-43(57)59-45(5,6)7)41(55)53-23-11-13-35(53)39-47-25-33(49-39)31-19-15-29(16-20-31)30-17-21-32(22-18-30)34-26-48-40(50-34)36-14-12-24-54(36)42(56)38(28(3)4)52-44(58)60-46(8,9)10/h15-22,25-28,35-38H,11-14,23-24H2,1-10H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t35-,36-,37-,38-/m0/s1

IUPAC

tert-butyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat