4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(phenethylamino)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(phenethylcarbamoylamino)butyric acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O3S/c1-20-10-8-12(13(17)18)16-14(19)15-9-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,18)(H2,15,16,19)