2-[(2-aminophenyl)carbonyl-(N'-cyanocarbamimidoyl)amino]ethanoyl 3-(2-aminophenyl)propanoate

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(N'-cyanocarbamimidoyl)amino]ethanoyl 3-(2-aminophenyl)propanoate Openeye Name: [2-[(2-aminobenzoyl)-(N'-cyanocarbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-[[amino(cyanoimino)methyl]-[(2-aminophenyl)-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(N'-cyanocarbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid [2-[anthraniloyl-(N'-cyanoamidino)amino]acetyl] ester Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)OC(=O)CN(C(=O)C2=CC=CC=C2N)C(=NC#N)N)N

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)OC(=O)CN(C(=O)C2=CC=CC=C2N)C(=NC#N)N)N

InChI

InChI=1S/C20H20N6O4/c21-12-25-20(24)26(19(29)14-6-2-4-8-16(14)23)11-18(28)30-17(27)10-9-13-5-1-3-7-15(13)22/h1-8H,9-11,22-23H2,(H2,24,25)