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

Systemtic Name: 3-methyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[(2-methylthiazol-4-yl)methylthio]acetyl]amino]butyric acid Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S2/c1-7(2)11(12(16)17)14-10(15)6-18-4-9-5-19-8(3)13-9/h5,7,11H,4,6H2,1-3H3,(H,14,15)(H,16,17)