3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-dioxo-piperazin-1-yl]-3-(3-pyridyl)propanoic acid CAS Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-dioxo-1-piperazinyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-dioxopiperazin-1-yl]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[4-[3-[(4-amidinophenyl)sulfonylamino]propyl]-2,3-diketo-piperazino]-3-(3-pyridyl)propionic acid Formula: C22H26N6O6S MolecularWeight: 502.54344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H26N6O6S/c23-20(24)15-4-6-17(7-5-15)35(33,34)26-9-2-10-27-11-12-28(22(32)21(27)31)18(13-19(29)30)16-3-1-8-25-14-16/h1,3-8,14,18,26H,2,9-13H2,(H3,23,24)(H,29,30)