4-azanyl-2-[3-(4-bromanylphenoxy)propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[3-(4-bromanylphenoxy)propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[3-(4-bromophenoxy)propanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-(4-bromophenoxy)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-(4-bromophenoxy)propanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[3-(4-bromophenoxy)propanoylamino]-4-keto-butyric acid Formula: C13H15BrN2O5 MolecularWeight: 359.1726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCC(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCCC(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C13H15BrN2O5/c14-8-1-3-9(4-2-8)21-6-5-12(18)16-10(13(19)20)7-11(15)17/h1-4,10H,5-7H2,(H2,15,17)(H,16,18)(H,19,20)