2-[[2-[(4-bromophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-bromophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(4-bromophenyl)methyl]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[(4-bromophenyl)methyl]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-bromophenyl)methyl]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-(4-bromobenzyl)-3-mercapto-propanoyl]amino]acetic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NCC(=O)O)Br

InChI

InChI=1S/C12H14BrNO3S/c13-10-3-1-8(2-4-10)5-9(7-18)12(17)14-6-11(15)16/h1-4,9,18H,5-7H2,(H,14,17)(H,15,16)