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





Chemical Formula:
C18H24N4O7S2
Molecular Weight:
472.53 Daltons
Monoisotopic Mass:
474.12429059010003 Daltons
SMILES:
C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C([O-])=O)[N+])(CO)NC(=O)2))C(C([O-])=O)[N+]
InChI:
1S/C18H24N4O7S2/c19-11(13(24)25)7-30-17(6-10-4-2-1-3-5-10)15(28)22-18(9-23,16(29)21-17)31-8-12(20)14(26)27/h1-5,11-12,23H,6-9,19-20H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)/t11-,12-,17+,18+/m0/s1

Synonyms
  • 3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-DKP
  • 3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)piperazine-2,5-dione

Databases
MetaCyc:  CPD-17048
PubChem (CID):  90658656
MetaNetX:  MNXM147769