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

Systemtic Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methyl-butanoic acid CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methylbutanoic acid IUPAC Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]-3-methyl-butyric acid Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2/c1-12(2)19(23(30)31)28-10-9-17-16-8-7-15(22(26)27)11-18(16)29-20(17)13-3-5-14(6-4-13)21(24)25/h3-8,11-12,19,28-29H,9-10H2,1-2H3,(H3,24,25)(H3,26,27)(H,30,31)