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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)O)OC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C(=O)NC(CC(=O)N)C(=O)O)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H15BrN2O5/c1-7(21-9-4-2-8(14)3-5-9)12(18)16-10(13(19)20)6-11(15)17/h2-5,7,10H,6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)