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

Systemtic Name: 3-oxidanyl-2-(2-phenylsulfanylethanoylamino)butanoic acid Openeye Name: 3-hydroxy-2-[(2-phenylsulfanylacetyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(2-phenylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-(phenylthio)acetyl]amino]butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-8(14)11(12(16)17)13-10(15)7-18-9-5-3-2-4-6-9/h2-6,8,11,14H,7H2,1H3,(H,13,15)(H,16,17)