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

Systemtic Name: 4-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 4-[[2-[(2-methyl-4-thiazolyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(2-methylthiazol-4-yl)methylthio]acetyl]amino]butyric acid Formula: C11H16N2O3S2 MolecularWeight: 288.38634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O3S2/c1-8-13-9(6-18-8)5-17-7-10(14)12-4-2-3-11(15)16/h6H,2-5,7H2,1H3,(H,12,14)(H,15,16)