4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]amino]-4-oxidanylidene-butanoic acid dihydrochloride

Systemtic Name: 4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]amino]-4-oxidanylidene-butanoic acid dihydrochloride Openeye Name: 4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]amino]-4-oxo-butanoic acid dihydrochloride CAS Name: 4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]amino]-4-oxobutanoic acid dihydrochloride IUPAC Name: 4-[[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]amino]-4-oxobutanoic acid dihydrochloride Traditional Name: 4-[[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]amino]-4-keto-butyric acid dihydrochloride Formula: C20H22Cl2N6O3 MolecularWeight: 465.33308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)NC(=O)CCC(=O)O)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)NC(=O)CCC(=O)O)C(=N)N.Cl.Cl

InChI

InChI=1S/C20H20N6O3.2ClH/c21-19(22)11-3-1-10(2-4-11)17-18(26-15(27)7-8-16(28)29)13-6-5-12(20(23)24)9-14(13)25-17;;/h1-6,9,25H,7-8H2,(H3,21,22)(H3,23,24)(H,26,27)(H,28,29);2*1H