3-methyl-2-(2-phenylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3-methyl-2-(2-phenylsulfanylethanoylamino)butanoic acid Openeye Name: 3-methyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(phenylthio)acetyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-9(2)12(13(16)17)14-11(15)8-18-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17)