3-methyl-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]butanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]butanoic acid Traditional Name: 2-[[2-(mercaptomethyl)-3-phenyl-butanoyl]amino]-3-methyl-butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-10(2)14(16(19)20)17-15(18)13(9-21)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,21H,9H2,1-3H3,(H,17,18)(H,19,20)