Analyte Name

(2S,4R)-4-(Acetylthio)-2-(((aminosulfonyl)((1,1-dimethylethoxy)carbonyl)amino)methyl)-1-pyrrolidinecarboxylic Acid (4-Nitrophenyl) Ethyl Ester

CAS Number

571176-82-4

Molecular Formula

C20 H28 N4 O9 S2

Molecular Weight

532.588

Accurate Mass

532.13

SMILES

CC(=O)S[C@@H]1C[C@@H](CN(C(=O)OC(C)(C)C)S(=O)(=O)N)N(C1)C(=O)OCc2ccc(cc2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O9S2/c1-13(25)34-17-9-16(10-23(35(21,30)31)19(27)33-20(2,3)4)22(11-17)18(26)32-12-14-5-7-15(8-6-14)24(28)29/h5-8,16-17H,9-12H2,1-4H3,(H2,21,30,31)/t16-,17+/m0/s1

IUPAC

(4-nitrophenyl)methyl (2S,4R)-4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat