3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine

Chemical Formula:

C₃₂H₄₂N₈O₁₅S₂

Molecular Weight:

842.848 Daltons

Monoisotopic Mass:

846.2524042297 Daltons

SMILES:

C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)NC(=O)2))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O

InChI:

1S/C32H44N8O15S2/c33-17(27(50)51)6-8-21(42)37-19(25(48)35-11-23(44)45)13-56-31(10-16-4-2-1-3-5-16)29(54)40-32(15-41,30(55)39-31)57-14-20(26(49)36-12-24(46)47)38-22(43)9-7-18(34)28(52)53/h1-5,17-20,41H,6-15,33-34H2,(H,35,48)(H,36,49)(H,37,42)(H,38,43)(H,39,55)(H,40,54)(H,44,45)(H,46,47)(H,50,51)(H,52,53)/p-2/t17-,18-,19-,20-,31+,32+/m0/s1

InChIKey:

YJISLDWVIYDIOE-WGTGPSAHSA-L

Synonyms

3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP
3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione

Databases

MetaCyc: CPD-17046

PubChem (CID): 90657797

MetaNetX: MNXM147771