Analyte Name

Acetoxy-Lysylpyridinoline

CAS Number

1321573-23-2

Molecular Formula

C20H30N4O9

Molecular Weight

470.47

Accurate Mass

470.2

SMILES

OC([C@@H](N)CCC1=C(C[C@H](N)C(O)=O)C(O)=C[N+](C[C@H](OC(C)=O)CC[C@H](N)C([O-])=O)=C1)=O

InChI

InChI=1S/C20H30N4O9/c1-10(25)33-12(3-5-15(22)19(29)30)8-24-7-11(2-4-14(21)18(27)28)13(17(26)9-24)6-16(23)20(31)32/h7,9,12,14-16H,2-6,8,21-23H2,1H3,(H3-,26,27,28,29,30,31,32)/t12-,14+,15+,16+/m1/s1

IUPAC

(2S,5R)-5-acetoxy-2-amino-6-(4-((S)-2-amino-2-carboxyethyl)-3-((S)-3-amino-3-carboxypropyl)-5-hydroxypyridin-1-ium-1-yl)hexanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat