4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-4-oxidanylidene-butanoic acid hydrobromide

Systemtic Name: 4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-4-oxidanylidene-butanoic acid hydrobromide Openeye Name: 4-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-4-oxo-butanoic acid hydrobromide CAS Name: 4-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-4-oxobutanoic acid hydrobromide IUPAC Name: 4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-4-oxobutanoic acid hydrobromide Traditional Name: 4-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-4-keto-butyric acid hydrobromide Formula: C21H20BrN3O6 MolecularWeight: 490.304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCC(=O)O)C=C1C(=N)N.Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCC(=O)O)C=C1C(=N)N.Br

InChI

InChI=1S/C21H19N3O6.BrH/c22-20(23)14-2-1-13-10-15(4-3-12(13)9-14)30-21(28)17-6-5-16(29-17)11-24-18(25)7-8-19(26)27;/h1-6,9-10H,7-8,11H2,(H3,22,23)(H,24,25)(H,26,27);1H