2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-4-(methylthio)butyric acid Formula: C14H18BrNO3S2 MolecularWeight: 392.33162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3S2/c1-9-7-10(15)3-4-12(9)21-8-13(17)16-11(14(18)19)5-6-20-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)