Chemical Component Summary

Name(4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione
Identifiers(4aS,7aS)-1,4-bis[(3-hydroxyphenyl)methyl]-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b]pyrazine-2,3-dione
FormulaC20 H21 N3 O4
Molecular Weight367.398
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O
InChIInChI=1S/C20H21N3O4/c24-15-5-1-3-13(7-15)11-22-17-9-21-10-18(17)23(20(27)19(22)26)12-14-4-2-6-16(25)8-14/h1-8,17-18,21,24-25H,9-12H2/t17-,18-/m0/s1
InChIKeyAPIFWVNKKSBMAV-ROUUACIJSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count2
Bond Count51
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 56593139