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

Systemtic Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 2-[4-carbamimidoyl-2-[2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid CAS Name: 2-[4-carbamimidoyl-2-[2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-[4-amidino-2-[2-[[1-(4-pyridyl)isonipecotoyl]amino]ethoxy]phenyl]propionic acid Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=N)N)OCCNC(=O)C2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C23H29N5O4/c1-15(23(30)31)19-3-2-17(21(24)25)14-20(19)32-13-10-27-22(29)16-6-11-28(12-7-16)18-4-8-26-9-5-18/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H3,24,25)(H,27,29)(H,30,31)