Chemical Component Summary

Name3-acetylene dicyclotyrosine
Identifiers(3~{S},6~{S})-3-[(3-ethynyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
FormulaC20 H18 N2 O4
Molecular Weight350.368
TypeNON-POLYMER
Isomeric SMILESC#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O
InChIInChI=1S/C20H18N2O4/c1-2-14-9-13(5-8-18(14)24)11-17-20(26)21-16(19(25)22-17)10-12-3-6-15(23)7-4-12/h1,3-9,16-17,23-24H,10-11H2,(H,21,26)(H,22,25)/t16-,17-/m0/s1
InChIKeyLIUSUWHATTTWPP-IRXDYDNUSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count46
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 146035900