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

Systemtic Name: 3-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 3-[[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-[[2-[(2-methylthiazol-4-yl)methylthio]acetyl]amino]butyric acid Formula: C11H16N2O3S2 MolecularWeight: 288.38634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C11H16N2O3S2/c1-7(3-11(15)16)12-10(14)6-17-4-9-5-18-8(2)13-9/h5,7H,3-4,6H2,1-2H3,(H,12,14)(H,15,16)