N-(2-Amino-4-thiazolyl)acetyl Mirabegron

Analyte Name

2-Amino-N-(2-(4-((2-(2-amino-4-thiazolyl)acetyl)amino)phenyl)ethyl)-N-((2R)-2-hydroxy-2-phenylethyl)-4-thiazoleacetamide

CAS Number

1684452-83-2

Molecular Formula

C26 H28 N6 O3 S2

Molecular Weight

536.669

Accurate Mass

536.166

SMILES

Nc1nc(CC(=O)Nc2ccc(CCN(C[C@H](O)c3ccccc3)C(=O)Cc4csc(N)n4)cc2)cs1

InChI

InChI=1S/C26H28N6O3S2/c27-25-30-20(15-36-25)12-23(34)29-19-8-6-17(7-9-19)10-11-32(14-22(33)18-4-2-1-3-5-18)24(35)13-21-16-37-26(28)31-21/h1-9,15-16,22,33H,10-14H2,(H2,27,30)(H2,28,31)(H,29,34)/t22-/m0/s1

IUPAC

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat