2-[2,3-bis(oxidanylidene)piperazin-1-yl]-6-(4-carbamimidoylphenoxy)hexanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-6-(4-carbamimidoylphenoxy)hexanoic acid Openeye Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxopiperazin-1-yl)hexanoic acid CAS Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxo-1-piperazinyl)hexanoic acid IUPAC Name: 6-(4-carbamimidoylphenoxy)-2-(2,3-dioxopiperazin-1-yl)hexanoic acid Traditional Name: 6-(4-amidinophenoxy)-2-(2,3-diketopiperazino)hexanoic acid Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1)C(CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1)C(CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C17H22N4O5/c18-14(19)11-4-6-12(7-5-11)26-10-2-1-3-13(17(24)25)21-9-8-20-15(22)16(21)23/h4-7,13H,1-3,8-10H2,(H3,18,19)(H,20,22)(H,24,25)