Chemical Component Summary

Name(3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid
Identifiers(3~{S})-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid
FormulaC18 H20 N2 O4
Molecular Weight328.362
TypeNON-POLYMER
Isomeric SMILESCC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O
InChIInChI=1S/C18H20N2O4/c1-12(21)15-10-20(16-7-3-2-6-14(15)16)11-17(22)19-8-4-5-13(9-19)18(23)24/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyZYTILVPFRSHVDL-ZDUSSCGKSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count46
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 51721279
ChEMBL CHEMBL4161161