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

Systemtic Name: 2-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylcarbonylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 2-[4-carbamimidoyl-2-[2-[[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid CAS Name: 2-[4-carbamimidoyl-2-[2-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-[4-carbamimidoyl-2-[2-[[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-[4-amidino-2-[2-[(1-isonicotinoylisonipecotoyl)amino]ethoxy]phenyl]propionic acid Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O5/c1-15(24(32)33)19-3-2-18(21(25)26)14-20(19)34-13-10-28-22(30)16-6-11-29(12-7-16)23(31)17-4-8-27-9-5-17/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H3,25,26)(H,28,30)(H,32,33)