5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]methyl]-2-furoic acid Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=CC=C(O4)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC4=CC=C(O4)C(=O)O)C(=N)N

InChI

InChI=1S/C22H19N5O3/c23-20(24)12-3-1-11(2-4-12)19-16(10-14-6-8-18(30-14)22(28)29)15-7-5-13(21(25)26)9-17(15)27-19/h1-9,27H,10H2,(H3,23,24)(H3,25,26)(H,28,29)