2-aminocarbonyl-4-[3-aminocarbonyl-2-(N'-prop-2-enylcarbamimidoyl)phenyl]-3-(N'-prop-2-enylcarbamimidoyl)benzoic acid

Systemtic Name: 2-aminocarbonyl-4-[3-aminocarbonyl-2-(N'-prop-2-enylcarbamimidoyl)phenyl]-3-(N'-prop-2-enylcarbamimidoyl)benzoic acid Openeye Name: 3-(N'-allylcarbamimidoyl)-4-[2-(N'-allylcarbamimidoyl)-3-carbamoyl-phenyl]-2-carbamoyl-benzoic acid CAS Name: 3-[amino(prop-2-enylimino)methyl]-4-[2-[amino(prop-2-enylimino)methyl]-3-carbamoylphenyl]-2-carbamoylbenzoic acid IUPAC Name: 2-carbamoyl-4-[3-carbamoyl-2-(N'-prop-2-enylcarbamimidoyl)phenyl]-3-(N'-prop-2-enylcarbamimidoyl)benzoic acid Traditional Name: 3-(N'-allylamidino)-4-[2-(N'-allylamidino)-3-carbamoyl-phenyl]-2-carbamoyl-benzoic acid Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C1=C(C=CC=C1C(=O)N)C2=C(C(=C(C=C2)C(=O)O)C(=O)N)C(=NCC=C)N)N

Isomeric SMILES

C=CCN=C(C1=C(C=CC=C1C(=O)N)C2=C(C(=C(C=C2)C(=O)O)C(=O)N)C(=NCC=C)N)N

InChI

InChI=1S/C23H24N6O4/c1-3-10-28-19(24)16-12(6-5-7-14(16)21(26)30)13-8-9-15(23(32)33)18(22(27)31)17(13)20(25)29-11-4-2/h3-9H,1-2,10-11H2,(H2,24,28)(H2,25,29)(H2,26,30)(H2,27,31)(H,32,33)