3-(4-carbamimidoylphenyl)-2-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]acetyl]amino]propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-amidinophenyl)-2-[[2-[(4-amidinophenyl)sulfonylamino]acetyl]amino]propionic acid Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=N)N

InChI

InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)