3-[[5-(3-methylbutylcarbamoyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[5-(3-methylbutylcarbamoyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(isopentylcarbamoyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-[(3-methylbutylamino)-oxomethyl]-1,2,4-oxadiazol-3-yl]methylthio]propanoic acid IUPAC Name: 3-[[5-(3-methylbutylcarbamoyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(isoamylcarbamoyl)-1,2,4-oxadiazol-3-yl]methylthio]propionic acid Formula: C12H19N3O4S MolecularWeight: 301.36196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=NC(=NO1)CSCCC(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C1=NC(=NO1)CSCCC(=O)O

InChI

InChI=1S/C12H19N3O4S/c1-8(2)3-5-13-11(18)12-14-9(15-19-12)7-20-6-4-10(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)