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

Systemtic Name: 2-[(2-aminophenyl)carbonyl-(N-cyano-N'-methyl-carbamimidoyl)amino]ethanoyl 5-azanylpent-4-ynoate Openeye Name: [2-[(2-aminobenzoyl)-(N-cyano-N'-methyl-carbamimidoyl)amino]acetyl] 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid [2-[[(2-aminophenyl)-oxomethyl]-[(cyanoamino)-methyliminomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[(2-aminobenzoyl)-(N-cyano-N'-methylcarbamimidoyl)amino]acetyl] 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid [2-[anthraniloyl-(N-cyano-N'-methyl-amidino)amino]acetyl] ester Formula: C17H18N6O4 MolecularWeight: 370.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)N(CC(=O)OC(=O)CCC#CN)C(=O)C1=CC=CC=C1N

Isomeric SMILES

CN=C(NC#N)N(CC(=O)OC(=O)CCC#CN)C(=O)C1=CC=CC=C1N

InChI

InChI=1S/C17H18N6O4/c1-21-17(22-11-19)23(16(26)12-6-2-3-7-13(12)20)10-15(25)27-14(24)8-4-5-9-18/h2-3,6-7H,4,8,10,18,20H2,1H3,(H,21,22)