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

Chemical Formula:

C₁₇H₃₀N₃O₇S

Molecular Weight:

420.5 Daltons

Monoisotopic Mass:

422.1960960875 Daltons

SMILES:

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

InChI:

1S/C17H31N3O7S/c1-3-6-17(2,7-8-21)28-10-12(15(25)19-9-14(23)24)20-13(22)5-4-11(18)16(26)27/h11-12,21H,3-10,18H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/p-1/t11-,12-,17?/m0/s1

InChIKey:

NJNGQWPDGNWCCL-FAGLKTCQSA-M

Synonyms

3-(glutathion-S-yl)-3-methylhexanol

Databases

MetaCyc: CPD-21199

PubChem (CID): 134820272