3-aminocarbonyl-6-(4-aminocarbonyl-3-carbamimidoyl-phenyl)-2-carbamimidoyl-benzoic acid

Systemtic Name: 3-aminocarbonyl-6-(4-aminocarbonyl-3-carbamimidoyl-phenyl)-2-carbamimidoyl-benzoic acid Openeye Name: 2-carbamimidoyl-6-(3-carbamimidoyl-4-carbamoyl-phenyl)-3-carbamoyl-benzoic acid CAS Name: 2-carbamimidoyl-6-(3-carbamimidoyl-4-carbamoylphenyl)-3-carbamoylbenzoic acid IUPAC Name: 2-carbamimidoyl-6-(3-carbamimidoyl-4-carbamoylphenyl)-3-carbamoylbenzoic acid Traditional Name: 2-amidino-6-(3-amidino-4-carbamoyl-phenyl)-3-carbamoyl-benzoic acid Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)N)C(=N)N)C(=O)O)C(=N)N)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)N)C(=N)N)C(=O)O)C(=N)N)C(=O)N

InChI

InChI=1S/C17H16N6O4/c18-13(19)10-5-6(1-2-8(10)15(22)24)7-3-4-9(16(23)25)11(14(20)21)12(7)17(26)27/h1-5H,(H3,18,19)(H3,20,21)(H2,22,24)(H2,23,25)(H,26,27)