4-methylsulfanyl-2-(2-phenethylsulfanylethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-phenethylsulfanylethanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2-phenethylsulfanylacetyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenethylthio)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-phenethylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(phenethylthio)acetyl]amino]butyric acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S2/c1-20-9-8-13(15(18)19)16-14(17)11-21-10-7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,17)(H,18,19)