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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCSCC1=CSC(=N1)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCSCC1=CSC(=N1)C

InChI

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