(E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoic acid

Systemtic Name: (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoic acid Openeye Name: (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoic acid CAS Name: (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-2-butenoic acid IUPAC Name: (E)-4-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]but-2-enoic acid Traditional Name: (E)-4-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]but-2-enoic acid Formula: C20H19N5O2 MolecularWeight: 361.39716

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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)CC=CC(=O)O)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c21-19(22)12-6-4-11(5-7-12)18-15(2-1-3-17(26)27)14-9-8-13(20(23)24)10-16(14)25-18/h1,3-10,25H,2H2,(H3,21,22)(H3,23,24)(H,26,27)/b3-1+