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

Systemtic Name: 3-oxidanyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid Openeye Name: 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-3-(phenylthio)propyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)butanoic acid Traditional Name: 3-hydroxy-2-[3-(phenylthio)propanoylamino]butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCSC1=CC=CC=C1)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCSC1=CC=CC=C1)O

InChI

InChI=1S/C13H17NO4S/c1-9(15)12(13(17)18)14-11(16)7-8-19-10-5-3-2-4-6-10/h2-6,9,12,15H,7-8H2,1H3,(H,14,16)(H,17,18)