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

Systemtic Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methyl-butanoate Openeye Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methyl-butanoate CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methylbutanoate Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]-3-methyl-butyric acid methyl ester Formula: C24H30N6O2 MolecularWeight: 434.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O2/c1-13(2)20(24(31)32-3)29-11-10-18-17-9-8-16(23(27)28)12-19(17)30-21(18)14-4-6-15(7-5-14)22(25)26/h4-9,12-13,20,29-30H,10-11H2,1-3H3,(H3,25,26)(H3,27,28)