2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6-biotinamidocaproyl)-L-lysinyl]ethyl Methanethiosulfonate

Analyte Name

2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6-biotinamidocaproyl)-L-lysinyl]ethyl methanethiosulfonate

CAS Number

1356383-18-0

Molecular Formula

C32 H44 F4 N8 O8 S3

Molecular Weight

840.93

Accurate Mass

840.238

SMILES

CS(=O)(=O)SCCOC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1CS[C@@H]2NC(=O)N[C@H]12)NC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F

InChI

InChI=1S/C32H44F4N8O8S3/c1-55(50,51)54-16-15-52-31(48)19(40-29(47)22-23(33)25(35)28(43-44-37)26(36)24(22)34)10-6-8-14-39-20(45)11-3-2-7-13-38-21(46)12-5-4-9-18-17-53-30-27(18)41-32(49)42-30/h18-19,27,30H,2-17H2,1H3,(H,38,46)(H,39,45)(H,40,47)(H2,41,42,49)/t18-,19+,27-,30+/m1/s1

IUPAC

2-methylsulfonylsulfanylethyl (2S)-6-[6-[5-[(3aS,6S,6aR)-2-oxo-1,3,3a,5,6,6a-hexahydrothieno[2,3-d]imidazol-6-yl]pentanoylamino]hexanoylamino]-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat