3-[4-carbamimidoyl-2-[2-[(1-pyrimidin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[2-[(1-pyrimidin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[2-[(1-pyrimidin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[2-[[oxo-[1-(4-pyrimidinyl)-4-piperidinyl]methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[2-[(1-pyrimidin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-amidino-2-[2-[[1-(4-pyrimidyl)isonipecotoyl]amino]ethoxy]phenyl]propionic acid Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=NC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCOC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=NC=NC=C3

InChI

InChI=1S/C22H28N6O4/c23-21(24)17-2-1-15(3-4-20(29)30)18(13-17)32-12-9-26-22(31)16-6-10-28(11-7-16)19-5-8-25-14-27-19/h1-2,5,8,13-14,16H,3-4,6-7,9-12H2,(H3,23,24)(H,26,31)(H,29,30)