6-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]hexanoic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-10-12(11(2)20-16-10)8-21-9-13(17)15-7-5-3-4-6-14(18)19/h3-9H2,1-2H3,(H,15,17)(H,18,19)