2-[2-(2-chlorophenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(2-chlorophenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-chlorophenyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(2-chlorophenyl)thio]acetyl]amino]-4-methyl-valeric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=CC=C1Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO3S/c1-9(2)7-11(14(18)19)16-13(17)8-20-12-6-4-3-5-10(12)15/h3-6,9,11H,7-8H2,1-2H3,(H,16,17)(H,18,19)