2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-2-methyl-valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)CSC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C16H23NO3S/c1-5-8-16(4,15(19)20)17-14(18)10-21-13-9-11(2)6-7-12(13)3/h6-7,9H,5,8,10H2,1-4H3,(H,17,18)(H,19,20)