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

Systemtic Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]ethanoate Openeye Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetate CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]acetate Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]acetic acid methyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CNCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N6O2/c1-29-18(28)11-26-9-8-16-15-7-6-14(21(24)25)10-17(15)27-19(16)12-2-4-13(5-3-12)20(22)23/h2-7,10,26-27H,8-9,11H2,1H3,(H3,22,23)(H3,24,25)