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

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-4-[(4-carbamimidoylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxopiperazin-1-yl)butanoic acid CAS Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxo-1-piperazinyl)butanoic acid IUPAC Name: 4-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxopiperazin-1-yl)butanoic acid Traditional Name: 4-[(4-amidinophenyl)sulfonylamino]-2-(2,3-diketopiperazino)butyric acid Formula: C15H19N5O6S MolecularWeight: 397.40626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1)C(CCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1)C(CCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C15H19N5O6S/c16-12(17)9-1-3-10(4-2-9)27(25,26)19-6-5-11(15(23)24)20-8-7-18-13(21)14(20)22/h1-4,11,19H,5-8H2,(H3,16,17)(H,18,21)(H,23,24)