2-[2,3-bis(oxidanylidene)piperazin-1-yl]-5-[(4-carbamimidoylphenyl)sulfonylamino]pentanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-5-[(4-carbamimidoylphenyl)sulfonylamino]pentanoic acid Openeye Name: 5-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxopiperazin-1-yl)pentanoic acid CAS Name: 5-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxo-1-piperazinyl)pentanoic acid IUPAC Name: 5-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxopiperazin-1-yl)pentanoic acid Traditional Name: 5-[(4-amidinophenyl)sulfonylamino]-2-(2,3-diketopiperazino)valeric acid Formula: C16H21N5O6S MolecularWeight: 411.43284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O6S/c17-13(18)10-3-5-11(6-4-10)28(26,27)20-7-1-2-12(16(24)25)21-9-8-19-14(22)15(21)23/h3-6,12,20H,1-2,7-9H2,(H3,17,18)(H,19,22)(H,24,25)