2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methylbutanoic acid Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]-3-methyl-butyric acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H20ClNO3S/c1-10(2)14(15(19)20)17-13(18)4-3-9-21-12-7-5-11(16)6-8-12/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18)(H,19,20)