4-methylsulfanyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butyric acid Formula: C13H21N3O4S MolecularWeight: 315.38854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCC1=NOC(=N1)CCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H21N3O4S/c1-3-4-10-15-12(20-16-10)6-5-11(17)14-9(13(18)19)7-8-21-2/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19)