4-methylsulfanyl-2-(2-phenoxybutanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxybutanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(2-phenoxybutanoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxybutyl)amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(2-phenoxybutanoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2-phenoxybutanoylamino)butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CCSC)C(=O)O)OC1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)NC(CCSC)C(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C15H21NO4S/c1-3-13(20-11-7-5-4-6-8-11)14(17)16-12(15(18)19)9-10-21-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)