2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-4-methyl-valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-10(2)7-13(16(19)20)17-15(18)9-21-14-8-11(3)5-6-12(14)4/h5-6,8,10,13H,7,9H2,1-4H3,(H,17,18)(H,19,20)