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

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-2-methyl-valeric acid Formula: C15H20BrNO3S MolecularWeight: 374.2932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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