2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]ethanoic acid dihydrochloride

Systemtic Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]ethanoic acid dihydrochloride Openeye Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetic acid dihydrochloride CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetic acid dihydrochloride IUPAC Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetic acid dihydrochloride Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]acetic acid dihydrochloride Formula: C20H24Cl2N6O2 MolecularWeight: 451.34956

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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)CCNCC(=O)O)C(=N)N.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2.2ClH/c21-19(22)12-3-1-11(2-4-12)18-15(7-8-25-10-17(27)28)14-6-5-13(20(23)24)9-16(14)26-18;;/h1-6,9,25-26H,7-8,10H2,(H3,21,22)(H3,23,24)(H,27,28);2*1H