2-[(2-aminophenyl)carbonyl-(N-cyano-N'-ethyl-carbamimidoyl)amino]ethanoyl 3-(2-aminophenyl)propanoate

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(N-cyano-N'-ethyl-carbamimidoyl)amino]ethanoyl 3-(2-aminophenyl)propanoate Openeye Name: [2-[(2-aminobenzoyl)-(N-cyano-N'-ethyl-carbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-[[(2-aminophenyl)-oxomethyl]-[(cyanoamino)-ethyliminomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(N-cyano-N'-ethylcarbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid [2-[anthraniloyl-(N-cyano-N'-ethyl-amidino)amino]acetyl] ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC#N)N(CC(=O)OC(=O)CCC1=CC=CC=C1N)C(=O)C2=CC=CC=C2N

Isomeric SMILES

CCN=C(NC#N)N(CC(=O)OC(=O)CCC1=CC=CC=C1N)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C22H24N6O4/c1-2-26-22(27-14-23)28(21(31)16-8-4-6-10-18(16)25)13-20(30)32-19(29)12-11-15-7-3-5-9-17(15)24/h3-10H,2,11-13,24-25H2,1H3,(H,26,27)