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

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(N-cyano-N'-methyl-carbamimidoyl)amino]ethanoyl 3-(2-aminophenyl)propanoate Openeye Name: [2-[(2-aminobenzoyl)-(N-cyano-N'-methyl-carbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-[[(2-aminophenyl)-oxomethyl]-[(cyanoamino)-methyliminomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(N-cyano-N'-methylcarbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid [2-[anthraniloyl-(N-cyano-N'-methyl-amidino)amino]acetyl] ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c1-25-21(26-13-22)27(20(30)15-7-3-5-9-17(15)24)12-19(29)31-18(28)11-10-14-6-2-4-8-16(14)23/h2-9H,10-12,23-24H2,1H3,(H,25,26)