Analyte Name

4-(((2S,4R)-1-([1,1'-Biphenyl]-4-yl)-5-methoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoate Calcium

CAS Number

2751722-74-2

Molecular Formula

C23 H26 N O5 . 0.5[Ca]

Molecular Weight

436.534

Accurate Mass

436.143

SMILES

[Ca+2].COC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C23H27NO5.Ca/c1-16(23(28)29-2)14-20(24-21(25)12-13-22(26)27)15-17-8-10-19(11-9-17)18-6-4-3-5-7-18;/h3-11,16,20H,12-15H2,1-2H3,(H,24,25)(H,26,27);/q;+2/p-1/t16-,20+;/m1./s1

IUPAC

calcium;4-[[(2S,4R)-5-methoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat