4-[methyl(2-phenethylsulfanylethanoyl)amino]butanoic acid

Systemtic Name: 4-[methyl(2-phenethylsulfanylethanoyl)amino]butanoic acid Openeye Name: 4-[methyl-(2-phenethylsulfanylacetyl)amino]butanoic acid CAS Name: 4-[methyl-[1-oxo-2-(phenethylthio)ethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-phenethylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-[methyl-[2-(phenethylthio)acetyl]amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-16(10-5-8-15(18)19)14(17)12-20-11-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,18,19)