Analyte Name

N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysinylamidoethane Methanethiosulfonate

Molecular Formula

C30 H54 N6 O8 S3

Molecular Weight

722.98

Accurate Mass

722.317

SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)NCCSS(=O)(=O)C

InChI

InChI=1S/C30H54N6O8S3/c1-30(2,3)44-29(41)35-21(27(39)33-18-19-46-47(4,42)43)12-9-11-17-32-24(37)14-6-5-10-16-31-25(38)15-8-7-13-23-26-22(20-45-23)34-28(40)36-26/h21-23,26H,5-20H2,1-4H3,(H,31,38)(H,32,37)(H,33,39)(H,35,41)(H2,34,36,40)/t21-,22-,23-,26-/m0/s1

IUPAC

tert-butyl N-[(2S)-6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-1-(2-methylsulfonylsulfanylethylamino)-1-oxohexan-2-yl]carbamate

Alternate CAS Number

1217728-52-3 (relative stereo)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat