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

Systemtic Name: 3-(3-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Traditional Name: 3-(3-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(=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N)C(=N)N

InChI

InChI=1S/C22H27N5O3/c23-21(24)15-10-8-14(9-11-15)4-1-2-7-19(28)27-18(13-20(29)30)16-5-3-6-17(12-16)22(25)26/h3,5-6,8-12,18H,1-2,4,7,13H2,(H3,23,24)(H3,25,26)(H,27,28)(H,29,30)