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

Chemical Formula:

C₂₂H₃₀N₆O₉S₂

Molecular Weight:

586.634 Daltons

Monoisotopic Mass:

588.1672180373 Daltons

SMILES:

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

InChI:

1S/C22H30N6O9S2/c23-13(17(34)25-7-15(30)31)9-38-21(6-12-4-2-1-3-5-12)19(36)28-22(11-29,20(37)27-21)39-10-14(24)18(35)26-8-16(32)33/h1-5,13-14,29H,6-11,23-24H2,(H,25,34)(H,26,35)(H,27,37)(H,28,36)(H,30,31)(H,32,33)/t13-,14-,21+,22+/m0/s1

InChIKey:

CHBULTTUDAIWDP-HCIHMXRSSA-N

Synonyms

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

Databases

MetaCyc: CPD-17047

PubChem (CID): 90657130

MetaNetX: MNXM147770