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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(2-fluorophenyl)propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxo-piperazin-1-yl]-3-(2-fluorophenyl)propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxo-1-piperazinyl]-3-(2-fluorophenyl)propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxopiperazin-1-yl]-3-(2-fluorophenyl)propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenoxy)butyl]-2,3-diketo-piperazino]-3-(2-fluorophenyl)propionic acid Formula: C24H27FN4O5 MolecularWeight: 470.493383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C24H27FN4O5/c25-19-6-2-1-5-18(19)20(15-21(30)31)29-13-12-28(23(32)24(29)33)11-3-4-14-34-17-9-7-16(8-10-17)22(26)27/h1-2,5-10,20H,3-4,11-15H2,(H3,26,27)(H,30,31)