4-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[(3-methyl-1-oxobutyl)amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(3-methylbutanoylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(isovalerylamino)phenyl]thio]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1SCCCC(=O)O

InChI

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