CHEBI:104101 - 2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide
ChEBI ID CHEBI:104101
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H23N5O2S
Net Charge 0
Average Mass 421.517
Monoisotopic Mass 421.15725
InChI InChI=1S/C22H23N5O2S/c1-13-7-8-18(14(2)9-13)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-6-4-3-5-16(15)19/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKey HFGPIAHGJWWKDI-KRWDZBQOSA-N
SMILES CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)N)C
ChEBI Ontology
Outgoing 2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,4-dimethylphenyl)acetamide (CHEBI:104101) is a indoles (CHEBI:24828)
Manual Xref Database
LSM-15459 LINCS
View more database links