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

Systemtic Name: methyl 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoate Openeye Name: methyl 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoate CAS Name: 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]propanoate Traditional Name: 3-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]propionic acid methyl ester Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCNCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N6O2/c1-30-19(29)9-11-27-10-8-17-16-7-6-15(22(25)26)12-18(16)28-20(17)13-2-4-14(5-3-13)21(23)24/h2-7,12,27-28H,8-11H2,1H3,(H3,23,24)(H3,25,26)