4-methylsulfanyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(2-thienyl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[(1-oxo-3-thiophen-2-ylpropyl)amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(3-thiophen-2-ylpropanoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-[3-(2-thienyl)propanoylamino]butyric acid Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=CC=CS1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=CC=CS1

InChI

InChI=1S/C12H17NO3S2/c1-17-8-6-10(12(15)16)13-11(14)5-4-9-3-2-7-18-9/h2-3,7,10H,4-6,8H2,1H3,(H,13,14)(H,15,16)