5-azanyl-2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]pentanoic acid Openeye Name: 5-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]pentanoic acid CAS Name: 5-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]pentanoic acid Traditional Name: 2-[[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetyl]amino]-5-amino-valeric acid Formula: C23H27N7O3 MolecularWeight: 449.50558

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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(=O)NC(CCCN)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)NC(CCCN)C(=O)O)C(=N)N

InChI

InChI=1S/C23H27N7O3/c24-9-1-2-17(23(32)33)29-19(31)11-16-15-8-7-14(22(27)28)10-18(15)30-20(16)12-3-5-13(6-4-12)21(25)26/h3-8,10,17,30H,1-2,9,11,24H2,(H3,25,26)(H3,27,28)(H,29,31)(H,32,33)