Analyte Name

Pentosidine Trifluoroacetic Acid Salt

Molecular Formula

C17H26N6O4 • x(C2HF3O2)

Molecular Weight

492.4

SMILES

OC(C(F)(F)F)=O.N[C@H](C(O)=O)CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(O)=O)C2=N1.

InChI

InChI=1S/C17H26N6O4.C2HF3O2/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27;3-2(4,5)1(6)7/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27);(H,6,7)/t11-,12-;/m0./s1

IUPAC

(S)-2-amino-6-(2-(((S)-4-amino-4-carboxybutyl)amino)-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid--2,2,2-trifluoroacetic acid (1/1)

Alternate CAS Number

360560-46-9; 225784-09-8; 124505-87-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat