Analyte Name

(S)-3-(4-((3-((Isopropyl(thiophen-3-ylmethyl)amino)methyl)benzyl)oxy)phenyl)hex-4-ynoic acid Calcium Salt

CAS Number

2020011-32-7

Molecular Formula

2[C28H31NO3S] . Ca

Molecular Weight

961.32

SMILES

CC(C)N(CC1=CC(COC2=CC=C([C@H](CC([O-])=O)C#CC)C=C2)=CC=C1)CC3=CSC=C3.CC(C)N(CC4=CC(COC5=CC=C([C@H](CC([O-])=O)C#CC)C=C5)=CC=C4)CC6=CSC=C6.[Ca+2]

InChI

InChI=1S/2C28H31NO3S.Ca/c2*1-4-6-26(16-28(30)31)25-9-11-27(12-10-25)32-19-23-8-5-7-22(15-23)17-29(21(2)3)18-24-13-14-33-20-24;/h2*5,7-15,20-21,26H,16-19H2,1-3H3,(H,30,31);/q;;+2/p-2/t2*26-;/m00./s1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat