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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]heptanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]heptanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]heptanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]heptanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]enanthic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)O)N1CCN(C(=O)C1=O)CCCOC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCC(CC(=O)O)N1CCN(C(=O)C1=O)CCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H30N4O5/c1-2-3-5-16(14-18(26)27)25-12-11-24(20(28)21(25)29)10-4-13-30-17-8-6-15(7-9-17)19(22)23/h6-9,16H,2-5,10-14H2,1H3,(H3,22,23)(H,26,27)