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

Systemtic Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoate dihydrochloride Openeye Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoate dihydrochloride CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoate dihydrochloride Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]propionic acid methyl ester dihydrochloride Formula: C22H28Cl2N6O2 MolecularWeight: 479.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C(=O)OC)NCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C22H26N6O2.2ClH/c1-12(22(29)30-2)27-10-9-17-16-8-7-15(21(25)26)11-18(16)28-19(17)13-3-5-14(6-4-13)20(23)24;;/h3-8,11-12,27-28H,9-10H2,1-2H3,(H3,23,24)(H3,25,26);2*1H