Analyte Name

Biotinylamidoethyl-dithiomethylenemalonic Acid Bis(3-aminopropionic Acid)

CAS Number

1217630-39-1

Molecular Formula

C24H38N6O9S3

Molecular Weight

650.79

Accurate Mass

650.1862

SMILES

OC(=O)CCNC(=O)C(NC(=O)CCSSCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)NCCC(=O)O

InChI

InChI=1S/C24H38N6O9S3/c31-16(4-2-1-3-15-20-14(13-40-15)28-24(39)30-20)25-10-12-42-41-11-7-17(32)29-21(22(37)26-8-5-18(33)34)23(38)27-9-6-19(35)36/h14-15,20-21H,1-13H2,(H,25,31)(H,26,37)(H,27,38)(H,29,32)(H,33,34)(H,35,36)(H2,28,30,39)/t14-,15-,20-/m0/s1

IUPAC

3-[[2-[3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoylamino]-3-(2-carboxyethylamino)-3-oxopropanoyl]amino]propanoic acid

Alternate CAS Number

1217630-39-1 (relative stereo)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat