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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-(4-fluorophenyl)propionic acid Formula: C23H25FN4O5 MolecularWeight: 456.466803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN4O5/c24-17-6-2-15(3-7-17)19(14-20(29)30)28-12-11-27(22(31)23(28)32)10-1-13-33-18-8-4-16(5-9-18)21(25)26/h2-9,19H,1,10-14H2,(H3,25,26)(H,29,30)