[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 3-azanylpropanoate dihydrobromide

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 3-azanylpropanoate dihydrobromide Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) 3-aminopropanoate dihydrobromide CAS Name: 3-aminopropanoic acid (2-benzoyl-4-carbamimidoylphenyl) ester dihydrobromide IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) 3-aminopropanoate dihydrobromide Traditional Name: 3-aminopropionic acid (4-amidino-2-benzoyl-phenyl) ester dihydrobromide Formula: C17H19Br2N3O3 MolecularWeight: 473.15906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=N)N)OC(=O)CCN.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=N)N)OC(=O)CCN.Br.Br

InChI

InChI=1S/C17H17N3O3.2BrH/c18-9-8-15(21)23-14-7-6-12(17(19)20)10-13(14)16(22)11-4-2-1-3-5-11;;/h1-7,10H,8-9,18H2,(H3,19,20);2*1H