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

Systemtic Name: 3,3-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-[(2-methylthiazol-4-yl)methylthio]acetyl]amino]butyric acid Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S2/c1-8-14-9(6-20-8)5-19-7-10(16)15-11(12(17)18)13(2,3)4/h6,11H,5,7H2,1-4H3,(H,15,16)(H,17,18)