2-{N2-[NAlpha-Benzoylbenzoicamido-N6-6-biotinamidocaproyl]lysinylamido}ethyl-2’-(N-sulfosuccinimidylcarboxy)ethyl Disulfide Sodium Salt

Analyte Name

2-[N2-[Na-Benzoylbenzoicamido-N6-6-biotinamidocaproyl]lysinylamido]ethyl-2'-(N-sulfosuccinimidylcarboxy)ethyl Disulfide Sodium Salt

Molecular Formula

C45H58N7NaO13S4

Molecular Weight

1056.23

Accurate Mass

1055.29

SMILES

O=C1N[C@@H]2[C@@H]([C@H](CCCCC(NCCCCCC(NCCCC[C@@H](C(NCCSSCCC(ON3C(C(S(=O)(O[Na])=O)CC3=O)=O)=O)=O)NC(C4=CC=C(C(C5=CC=CC=C5)=O)C=C4)=O)=O)=O)SC2)N1

InChI

InChI=1S/C45H59N7O13S4.Na/c53-36(15-5-2-9-22-46-37(54)16-7-6-14-34-40-33(28-66-34)50-45(61)51-40)47-23-10-8-13-32(49-42(58)31-19-17-30(18-20-31)41(57)29-11-3-1-4-12-29)43(59)48-24-26-68-67-25-21-39(56)65-52-38(55)27-35(44(52)60)69(62,63)64;/h1,3-4,11-12,17-20,32-35,40H,2,5-10,13-16,21-28H2,(H,46,54)(H,47,53)(H,48,59)(H,49,58)(H2,50,51,61)(H,62,63,64);/q;+1/p-1/t32-,33-,34-,35?,40-;/m0./s1

IUPAC

sodium 1-(((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-triazaheptacosanoyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate

Alternate CAS Number

Parent Compound: 1092746-34-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat