2-(glutathion-S-yl)-2-methylbut-3-enoate

Chemical Formula:

C₁₅H₂₁N₃O₈S

Molecular Weight:

403.406 Daltons

Monoisotopic Mass:

406.1284104528 Daltons

SMILES:

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

InChI:

1S/C15H23N3O8S/c1-3-15(2,14(25)26)27-7-9(12(22)17-6-11(20)21)18-10(19)5-4-8(16)13(23)24/h3,8-9H,1,4-7,16H2,2H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H,25,26)/p-2/t8-,9-,15?/m0/s1

InChIKey:

GPWMCZLMCJWORL-KZGJKODISA-L

Synonyms

2-glutathionyl-2-methylbut-3-enoate

Databases

MetaCyc: CPD-19032

ChEBI: 131797

PubChem (CID): 118987351

MetaNetX: MNXM162492