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

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(3-chlorobenzyl)thio]acetyl]amino]-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)CSCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSCC1=CC(=CC=C1)Cl

InChI

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