Analyte Name

2-Bromo-N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-N-methyl-D-tryptophan Methyl Ester

CAS Number

134781-89-8

Molecular Formula

C21 H28 Br N3 O5

Molecular Weight

482.368

Accurate Mass

481.121

SMILES

COC(=O)C(Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28BrN3O5/c1-12(23-20(28)30-21(2,3)4)18(26)25(5)16(19(27)29-6)11-14-13-9-7-8-10-15(13)24-17(14)22/h7-10,12,16,24H,11H2,1-6H3,(H,23,28)/t12-,16?/m0/s1

IUPAC

methyl 3-(2-bromo-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat