4-methylsulfanyl-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-(3-tetrahydrofuran-2-ylpropanoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-(2-oxolanyl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[3-(tetrahydrofuryl)propanoylamino]butyric acid Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1CCCO1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1CCCO1

InChI

InChI=1S/C12H21NO4S/c1-18-8-6-10(12(15)16)13-11(14)5-4-9-3-2-7-17-9/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)