2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-pentanoic acid CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylpentanoic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-2-methyl-valeric acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3S/c1-3-9-15(2,14(19)20)17-13(18)8-10-21-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)