2-[2-(3-methylbutanoylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-[(3-methyl-1-oxobutyl)amino]phenyl]thio]propanoic acid IUPAC Name: 2-[2-(3-methylbutanoylamino)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(isovalerylamino)phenyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9(2)8-13(16)15-11-6-4-5-7-12(11)19-10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)