Analyte Name

2,5,8,11-Tetramethyl Tri-t-Butyl Ester SPy Cyclen

CAS Number

1535209-10-9

Molecular Formula

C43 H76 N6 O7 S2

Molecular Weight

853.23

Accurate Mass

852.522

SMILES

C[C@H](N1C[C@H](C)N(C[C@H](C)N(C[C@H](C)N(C[C@@H]1C)[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C)C(=O)OC(C)(C)C)C(=O)NCCSSc2ccccn2

InChI

InChI=1S/C43H76N6O7S2/c1-28-25-47(33(6)38(51)54-41(9,10)11)30(3)27-49(35(8)40(53)56-43(15,16)17)31(4)26-48(34(7)39(52)55-42(12,13)14)29(2)24-46(28)32(5)37(50)45-22-23-57-58-36-20-18-19-21-44-36/h18-21,28-35H,22-27H2,1-17H3,(H,45,50)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

IUPAC

tert-butyl (2S)-2-[(2S,5S,8S,11S)-2,5,8,11-tetramethyl-7,10-bis[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-4-[(2S)-1-oxo-1-[2-(pyridin-2-yldisulfanyl)ethylamino]propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat