3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(pyridin-3-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(pyridin-3-ylsulfonylamino)propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(3-pyridylsulfonylamino)propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(3-pyridinylsulfonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(3-pyridylsulfonylamino)propionic acid Formula: C21H25N7O6S MolecularWeight: 503.5315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=N)N)CC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N7O6S/c22-20(23)14-3-5-15(6-4-14)27-8-9-28(19(30)13-27)12-18(29)25-11-17(21(31)32)26-35(33,34)16-2-1-7-24-10-16/h1-7,10,17,26H,8-9,11-13H2,(H3,22,23)(H,25,29)(H,31,32)