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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CCNCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CCNCCC(=O)O)C(=N)N

InChI

InChI=1S/C21H24N6O2/c22-20(23)13-3-1-12(2-4-13)19-16(7-9-26-10-8-18(28)29)15-6-5-14(21(24)25)11-17(15)27-19/h1-6,11,26-27H,7-10H2,(H3,22,23)(H3,24,25)(H,28,29)