2-[2-(4-bromophenyl)sulfanylethanoylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-2-methyl-valeric acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3S/c1-3-8-14(2,13(18)19)16-12(17)9-20-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)