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

Systemtic Name: 4-methylsulfonyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[2-(2-methyl-4-thiazolyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]butyric acid Formula: C11H16N2O5S2 MolecularWeight: 320.38514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O5S2/c1-7-12-8(6-19-7)5-10(14)13-9(11(15)16)3-4-20(2,17)18/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16)