Analyte Name

2-(N2-[Nalpha-Benzoylbenzoicamido-N6-6-biotinamidocaproyl]lysinylamido)ethyl-2’-carboxylethyl Disulfide

Molecular Formula

C41H56N6O8S3

Molecular Weight

857.11

Accurate Mass

856.33

SMILES

O=C1N[C@@H]2[C@@H]([C@H](CCCCC(NCCCCCC(NCCCC[C@@H](C(NCCSSCCC(O)=O)=O)NC(C3=CC=C(C(C4=CC=CC=C4)=O)C=C3)=O)=O)=O)SC2)N1

InChI

InChI=1S/C41H56N6O8S3/c48-34(15-5-2-9-22-42-35(49)16-7-6-14-33-37-32(27-56-33)46-41(55)47-37)43-23-10-8-13-31(40(54)44-24-26-58-57-25-21-36(50)51)45-39(53)30-19-17-29(18-20-30)38(52)28-11-3-1-4-12-28/h1,3-4,11-12,17-20,31-33,37H,2,5-10,13-16,21-27H2,(H,42,49)(H,43,48)(H,44,54)(H,45,53)(H,50,51)(H2,46,47,55)/t31-,32-,33-,37-/m0/s1

IUPAC

(S)-10-(4-benzoylbenzamido)-9,16,23-trioxo-27-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,5-dithia-8,15,22-triazaheptacosanoic acid

Alternate CAS Number

1217825-14-3 (relative stereo)

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat