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

Systemtic Name: 3-(3-carbamimidoylphenyl)-2-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]acetyl]amino]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-2-[[2-[(4-carbamimidoylphenyl)sulfonylamino]acetyl]amino]propanoic acid Traditional Name: 3-(3-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(=C1)CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)CC(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)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)