2-methyl-2-[2-(3-methylbutanoylamino)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[2-(3-methylbutanoylamino)phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[2-(3-methylbutanoylamino)phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[2-[(3-methyl-1-oxobutyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[2-(3-methylbutanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(isovalerylamino)phenyl]thio]-2-methyl-propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1SC(C)(C)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1SC(C)(C)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-10(2)9-13(17)16-11-7-5-6-8-12(11)20-15(3,4)14(18)19/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)