Analyte Name

6-[2-Biotinylamidoethyl]-dithiopropionamido]-4,8-diaza-5,7-d

CAS Number

1044220-56-5

Molecular Formula

C32 H42 N8 O19 S5 . 2 Na

Molecular Weight

1049.02

Accurate Mass

1048.0965

SMILES

[Na+].[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)CCNC(=O)C(NC(=O)CCSSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)NCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])C1=O

InChI

InChI=1S/C32H44N8O19S5.2Na/c41-20(4-2-1-3-17-26-16(15-60-17)36-32(51)38-26)33-10-12-62-61-11-7-21(42)37-27(28(47)34-8-5-24(45)58-39-22(43)13-18(30(39)49)63(52,53)54)29(48)35-9-6-25(46)59-40-23(44)14-19(31(40)50)64(55,56)57;;/h16-19,26-27H,1-15H2,(H,33,41)(H,34,47)(H,35,48)(H,37,42)(H2,36,38,51)(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2/t16-,17-,18?,19?,26-,27?;;/m0../s1

IUPAC

disodium;1-[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-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-3-oxopropanoyl]amino]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat