3,3-dimethyl-2-(2-phenethylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(2-phenethylsulfanylethanoylamino)butanoic acid Openeye Name: 3,3-dimethyl-2-[(2-phenethylsulfanylacetyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-(phenethylthio)ethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(2-phenethylsulfanylacetyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(phenethylthio)acetyl]amino]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-16(2,3)14(15(19)20)17-13(18)11-21-10-9-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3,(H,17,18)(H,19,20)