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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S2/c1-8(2)12(13(17)18)15-11(16)4-5-19-6-10-7-20-9(3)14-10/h7-8,12H,4-6H2,1-3H3,(H,15,16)(H,17,18)