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

Systemtic Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-2-(ethylamino)ethanoic acid Openeye Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-2-(ethylamino)acetic acid CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-2-(ethylamino)acetic acid IUPAC Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-2-(ethylamino)acetic acid Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]-2-(ethylamino)acetic acid Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCNC(C1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C20H22N6O2/c1-2-25-17(20(27)28)15-13-8-7-12(19(23)24)9-14(13)26-16(15)10-3-5-11(6-4-10)18(21)22/h3-9,17,25-26H,2H2,1H3,(H3,21,22)(H3,23,24)(H,27,28)