Analyte Name

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

CAS Number

2762802-66-2

Molecular Formula

C31H32N8O4S3

Molecular Weight

676.83

Accurate Mass

676.17

SMILES

O[C@H](C1=CC=CC=C1)CN(CCC2=CC=C(C=C2)NC(CC3=CSC(NC(CC4=CSC(N)=N4)=O)=N3)=O)C(CC5=CSC(N)=N5)=O

InChI

InChI=1S/C31H32N8O4S3/c32-29-35-22(16-44-29)12-27(42)38-31-37-23(18-46-31)13-26(41)34-21-8-6-19(7-9-21)10-11-39(15-25(40)20-4-2-1-3-5-20)28(43)14-24-17-45-30(33)36-24/h1-9,16-18,25,40H,10-15H2,(H2,32,35)(H2,33,36)(H,34,41)(H,37,38,42)/t25-/m0/s1

IUPAC

(R)-2-(2-aminothiazol-4-yl)-N-(4-(2-(2-(2-(2-aminothiazol-4-yl)acetamido)thiazol-4-yl)acetamido)phenethyl)-N-(2-hydroxy-2-phenylethyl)acetamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat