Analyte Name

C-alpha-NAC Trimethoprim

Molecular Formula

C19 H25 N5 O6 S

Molecular Weight

451.497

Accurate Mass

451.153

SMILES

COc1cc(cc(OC)c1OC)C(SC[C@H](NC(=O)C)C(=O)O)c2cnc(N)nc2N

InChI

InChI=1S/C19H25N5O6S/c1-9(25)23-12(18(26)27)8-31-16(11-7-22-19(21)24-17(11)20)10-5-13(28-2)15(30-4)14(6-10)29-3/h5-7,12,16H,8H2,1-4H3,(H,23,25)(H,26,27)(H4,20,21,22,24)/t12-,16?/m0/s1

IUPAC

(2R)-2-acetamido-3-[(2,4-diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methyl]sulfanylpropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat