(2S)-4-methylsulfanyl-2-(2-phenylbutanoylamino)butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-(2-phenylbutanoylamino)butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-(2-phenylbutanoylamino)butanoic acid CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenylbutyl)amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-(2-phenylbutanoylamino)butanoic acid Traditional Name: (2S)-4-(methylthio)-2-(2-phenylbutanoylamino)butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-12(11-7-5-4-6-8-11)14(17)16-13(15(18)19)9-10-20-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)/t12?,13-/m0/s1