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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S2/c1-8(5-12(16)17)13-11(15)3-4-18-6-10-7-19-9(2)14-10/h7-8H,3-6H2,1-2H3,(H,13,15)(H,16,17)