2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]-3-methyl-butyric acid Formula: C13H20N2O4S MolecularWeight: 300.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-7(2)12(13(17)18)14-11(16)6-20-5-10-8(3)15-19-9(10)4/h7,12H,5-6H2,1-4H3,(H,14,16)(H,17,18)