2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6- aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}ethyl Methanethiosulfonate

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Analyte Name

2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6-aminocaproyl]-N6-(6-biotinamidocaproyl)-L-lysinylamido}ethyl Methanethiosulfonate

CAS Number

1356841-34-3

Molecular Formula

C38 H56 F4 N10 O8 S3

Molecular Weight

953.10

Accurate Mass

952.3381

SMILES

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

InChI

InChI=1S/C38H56F4N10O8S3/c1-63(59,60)62-21-20-47-35(56)24(48-27(55)16-5-3-10-19-46-36(57)28-29(39)31(41)34(51-52-43)32(42)30(28)40)13-8-11-18-45-25(53)14-4-2-9-17-44-26(54)15-7-6-12-23-22-61-37-33(23)49-38(58)50-37/h23-24,33,37H,2-22H2,1H3,(H,44,54)(H,45,53)(H,46,57)(H,47,56)(H,48,55)(H2,49,50,58)/t23-,24+,33-,37+/m1/s1

IUPAC

N-[6-[[(2S)-6-[6-[5-[(3aS,6S,6aR)-2-oxo-1,3,3a,5,6,6a-hexahydrothieno[2,3-d]imidazol-6-yl]pentanoylamino]hexanoylamino]-1-(2-methylsulfonylsulfanylethylamino)-1-oxohexan-2-yl]amino]-6-oxohexyl]-4-azido-2,3,5,6-tetrafluorobenzamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat