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

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]acetyl]amino]-2-methyl-valeric acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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