2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-4-(methylthio)butyric acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S2/c1-10-4-5-11(2)13(8-10)21-9-14(17)16-12(15(18)19)6-7-20-3/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)