2-[(2-aminophenyl)carbonyl-(N'-cyanocarbamimidoyl)amino]ethanoyl 5-azanylpent-4-ynoate

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(N'-cyanocarbamimidoyl)amino]ethanoyl 5-azanylpent-4-ynoate Openeye Name: [2-[(2-aminobenzoyl)-(N'-cyanocarbamimidoyl)amino]acetyl] 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid [2-[[amino(cyanoimino)methyl]-[(2-aminophenyl)-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(N'-cyanocarbamimidoyl)amino]acetyl] 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid [2-[anthraniloyl-(N'-cyanoamidino)amino]acetyl] ester Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O4/c17-8-4-3-7-13(23)26-14(24)9-22(16(20)21-10-18)15(25)11-5-1-2-6-12(11)19/h1-2,5-6H,3,7,9,17,19H2,(H2,20,21)