Analyte Name

1-[(S)-O-(5-Isoquinolinesulfonyl)-N-methyltyrosyl]-4-phenyl-piperazine

CAS Number

1391068-10-2

Molecular Formula

C29H30N4O4S

Molecular Weight

530.64

Accurate Mass

530.1988

SMILES

CN[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N4CCN(CC4)c5ccccc5

InChI

InChI=1S/C29H30N4O4S/c1-30-27(29(34)33-18-16-32(17-19-33)24-7-3-2-4-8-24)20-22-10-12-25(13-11-22)37-38(35,36)28-9-5-6-23-21-31-15-14-26(23)28/h2-15,21,27,30H,16-20H2,1H3/t27-/m0/s1

IUPAC

[4-[(2S)-2-(methylamino)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat