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

Systemtic Name: 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylcarbonylpiperidin-4-yl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[2-[[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[2-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[2-[[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]amino]ethoxy]phenyl]propanoic acid Traditional Name: 3-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O5/c25-22(26)19-2-1-16(3-4-21(30)31)20(15-19)34-14-11-28-23(32)17-7-12-29(13-8-17)24(33)18-5-9-27-10-6-18/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,25,26)(H,28,32)(H,30,31)