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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3S/c1-10(2)9-13(15(19)20)17-14(18)7-8-21-12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,18)(H,19,20)