3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid

Systemtic Name: 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid Openeye Name: 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid CAS Name: 3-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid Traditional Name: 3-methyl-2-[3-(phenylthio)propanoylamino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-10(2)13(14(17)18)15-12(16)8-9-19-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,16)(H,17,18)