2-[2-[(2-aminophenyl)carbonyl-(N-cyano-N'-methyl-carbamimidoyl)amino]ethanoyl]-5-azanyl-pent-4-ynoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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