3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pentanedioic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pentanedioic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pentanedioic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]pentanedioic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pentanedioic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]glutaric acid Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(=O)CCC(=O)NC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H20N4O6/c17-16(18)9-1-3-10(4-2-9)19-12(21)5-6-13(22)20-11(7-14(23)24)8-15(25)26/h1-4,11H,5-8H2,(H3,17,18)(H,19,21)(H,20,22)(H,23,24)(H,25,26)