Chemical Component Summary

Name(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SynonymsBrevianamide F; cyclo-L-Trp-L-Pro
Identifiers(3S,8aS)-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
FormulaC16 H17 N3 O2
Molecular Weight283.325
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3
InChIInChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1
InChIKeyRYFZBPVMVYTEKZ-KBPBESRZSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count2
Bond Count41
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 181567
ChEMBL CHEMBL563557
ChEBI CHEBI:64530
CCDC/CSD COCYEZ