3-(glutathion-S-yl)-hexan-1-ol

Chemical Formula:

C₁₆H₂₈N₃O₇S

Molecular Weight:

406.473 Daltons

Monoisotopic Mass:

408.1804460233 Daltons

SMILES:

CCCC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)CCO

InChI:

1S/C16H29N3O7S/c1-2-3-10(6-7-20)27-9-12(15(24)18-8-14(22)23)19-13(21)5-4-11(17)16(25)26/h10-12,20H,2-9,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)(H,25,26)/p-1/t10?,11-,12-/m0/s1

InChIKey:

HNVRPZRIBUVDIB-RAMGSTBQSA-M

Databases

MetaCyc: CPD-21241

PubChem (CID): 134820378