2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C15H20BrNO3S MolecularWeight: 374.2932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C15H20BrNO3S/c1-8(2)14(15(19)20)17-13(18)7-21-12-6-9(3)11(16)5-10(12)4/h5-6,8,14H,7H2,1-4H3,(H,17,18)(H,19,20)