3-(3-carbamimidoylphenyl)-5-[[carboxymethyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[[carboxymethyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[[carboxymethyl-[(1-ethanimidoyl-4-piperidyl)methyl]amino]methyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[[carboxymethyl-[[1-(1-iminoethyl)-4-piperidinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[[carboxymethyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]benzoic acid Traditional Name: 3-[[(1-acetimidoyl-4-piperidyl)methyl-(carboxymethyl)amino]methyl]-5-(3-amidinophenyl)benzoic acid Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CN(CC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)CN(CC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C25H31N5O4/c1-16(26)30-7-5-17(6-8-30)13-29(15-23(31)32)14-18-9-21(12-22(10-18)25(33)34)19-3-2-4-20(11-19)24(27)28/h2-4,9-12,17,26H,5-8,13-15H2,1H3,(H3,27,28)(H,31,32)(H,33,34)