(2S)-4-methylsulfanyl-2-(3-phenoxypropanoylamino)butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-(3-phenoxypropanoylamino)butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-(3-phenoxypropanoylamino)butanoic acid CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-3-phenoxypropyl)amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-(3-phenoxypropanoylamino)butanoic acid Traditional Name: (2S)-4-(methylthio)-2-(3-phenoxypropanoylamino)butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCOC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CCOC1=CC=CC=C1

InChI

InChI=1S/C14H19NO4S/c1-20-10-8-12(14(17)18)15-13(16)7-9-19-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1