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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]hexanedioic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]hexanedioic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]hexanedioic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]hexanedioic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]adipic acid Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6/c18-17(19)10-1-3-11(4-2-10)20-13(22)6-7-14(23)21-12(9-16(26)27)5-8-15(24)25/h1-4,12H,5-9H2,(H3,18,19)(H,20,22)(H,21,23)(H,24,25)(H,26,27)