3-(4-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Traditional Name: 3-(4-amidinophenyl)-3-[5-(4-amidinophenyl)pentanoylamino]propionic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C(=N)N)C(=N)N

InChI

InChI=1S/C22H27N5O3/c23-21(24)16-7-5-14(6-8-16)3-1-2-4-19(28)27-18(13-20(29)30)15-9-11-17(12-10-15)22(25)26/h5-12,18H,1-4,13H2,(H3,23,24)(H3,25,26)(H,27,28)(H,29,30)