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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]-3-(2,4-difluorophenyl)propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]-3-(2,4-difluorophenyl)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(2,4-difluorophenyl)propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-(2,4-difluorophenyl)propionic acid Formula: C23H24F2N4O5 MolecularWeight: 474.457266

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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=C(C=C(C=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H24F2N4O5/c24-15-4-7-17(18(25)12-15)19(13-20(30)31)29-10-9-28(22(32)23(29)33)8-1-11-34-16-5-2-14(3-6-16)21(26)27/h2-7,12,19H,1,8-11,13H2,(H3,26,27)(H,30,31)