N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate

Analyte Name

N-Biotinylcaproylaminocaproylaminoethyl Methanethiosulfonate

CAS Number

1217447-71-6

Molecular Formula

C25 H45 N5 O6 S3

Molecular Weight

607.85

Accurate Mass

607.2532

SMILES

C(CCCC(NCCCCCC(NCCCCCC(NCCSS(C)(=O)=O)=O)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H]

InChI

InChI=1S/C25H45N5O6S3/c1-39(35,36)38-17-16-28-23(33)12-5-3-9-14-26-21(31)11-4-2-8-15-27-22(32)13-7-6-10-20-24-19(18-37-20)29-25(34)30-24/h19-20,24H,2-18H2,1H3,(H,26,31)(H,27,32)(H,28,33)(H2,29,30,34)/t19-,20-,24-/m0/s1

IUPAC

6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]hexanamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat