3,3-dimethyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid Openeye Name: 3,3-dimethyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-4-(phenylthio)butyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid Traditional Name: 3,3-dimethyl-2-[4-(phenylthio)butanoylamino]butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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