Chemical Component Summary

Name(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
Synonymscyclo(tyrosyl-tyrosyl); Cyclo(tyr-tyr)
Identifiers(3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
FormulaC18 H18 N2 O4
Molecular Weight326.347
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O
InChIInChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1
InChIKeyNGPCLOGFGKJCBP-HOTGVXAUSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count2
Bond Count44
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB08761 
Name(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
Groups experimental
Synonyms(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione

Drug Targets

NameTarget SequencePharmacological ActionActions
Mycocyclosin synthaseMTATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYAL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 11267350
ChEMBL CHEMBL189558
ChEBI CHEBI:65063
CCDC/CSD WOBWUF01, WOBWUF
COD 2011259