3-methyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid

Systemtic Name: 3-methyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid Openeye Name: 3-methyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid CAS Name: 3-methyl-2-[[1-oxo-4-(phenylthio)butyl]amino]butanoic acid IUPAC Name: 3-methyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid Traditional Name: 3-methyl-2-[4-(phenylthio)butanoylamino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCCSC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCCSC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-11(2)14(15(18)19)16-13(17)9-6-10-20-12-7-4-3-5-8-12/h3-5,7-8,11,14H,6,9-10H2,1-2H3,(H,16,17)(H,18,19)