2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-8(15)11(13(17)18)14-12(16)10-5-3-4-9(6-10)7-19-2/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)(H,17,18)