L-gamma-Glutamyl-S-[(1E)-1,2,3,4,4-pentachloro-1,3-butadien-1-yl]-L-cysteinylglycine
[CAS# 89021-88-5]

Identification

• Name: L-gamma-Glutamyl-S-[(1E)-1,2,3,4,4-pentachloro-1,3-butadien-1-yl]-L-cysteinylglycine
• Synonyms: 1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene; Glycine, N-(N-L-γ-glutamyl-S-(1,2,3,4,4-pentachloro-1,3-butadienyl)-L-cysteinyl)-
• Molecular Formula: C₁₄H₁₆Cl₅N₃O₆S
• Molecular Weight: 531.62
• CAS Registry Number: 89021-88-5
• SMILES: Cl/C(SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)=C(/Cl)\C(\Cl)=C(/Cl)Cl
• InChI: 1S/C14H16Cl5N3O6S/c15-9(11(17)18)10(16)12(19)29-4-6(13(26)21-3-8(24)25)22-7(23)2-1-5(20)14(27)28/h5-6H,1-4,20H2,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/b12-10-/t5-,6-/m0/s1
• InChIKey: VZRXIAGWZWMHMI-YTSWDMLESA-N

Properties

• Density: 1.648g/cm³ (Cal.)
• Boiling point: 766.871°C at 760 mmHg (Cal.)
• Flash point: 417.589°C (Cal.)