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

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(N-ethyl-N'-methyl-carbamimidoyl)amino]ethanoyl 3-(2-aminophenyl)propanoate Openeye Name: [2-[(2-aminobenzoyl)-(N-ethyl-N'-methyl-carbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate CAS Name: 3-(2-aminophenyl)propanoic acid [2-[[(2-aminophenyl)-oxomethyl]-[ethylamino(methylimino)methyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(N-ethyl-N'-methylcarbamimidoyl)amino]acetyl] 3-(2-aminophenyl)propanoate Traditional Name: 3-(2-aminophenyl)propionic acid [2-[anthraniloyl-(N-ethyl-N'-methyl-amidino)amino]acetyl] ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-3-26-22(25-2)27(21(30)16-9-5-7-11-18(16)24)14-20(29)31-19(28)13-12-15-8-4-6-10-17(15)23/h4-11H,3,12-14,23-24H2,1-2H3,(H,25,26)