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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO4S/c1-11(20-10-12-6-4-3-5-7-12)14(17)16-13(15(18)19)8-9-21-2/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)