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

Systemtic Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-dioxo-piperazin-1-yl]propanoic acid CAS Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-dioxo-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[3-[(4-carbamimidoylphenyl)sulfonylamino]propyl]-2,3-dioxopiperazin-1-yl]propanoic acid Traditional Name: 3-[4-[3-[(4-amidinophenyl)sulfonylamino]propyl]-2,3-diketo-piperazino]propionic acid Formula: C17H23N5O6S MolecularWeight: 425.45942

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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)CCC(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N)CCC(=O)O

InChI

InChI=1S/C17H23N5O6S/c18-15(19)12-2-4-13(5-3-12)29(27,28)20-7-1-8-21-10-11-22(9-6-14(23)24)17(26)16(21)25/h2-5,20H,1,6-11H2,(H3,18,19)(H,23,24)