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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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