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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCSC1=CC=CC=C1Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CCSC1=CC=CC=C1Cl

InChI

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