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

Systemtic Name: 3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]propoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]propoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]propoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid Traditional Name: 3-[4-amidino-2-[3-[[1-(4-pyridyl)isonipecotoyl]amino]propoxy]phenyl]propionic acid Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCOC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCCOC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C24H31N5O4/c25-23(26)19-3-2-17(4-5-22(30)31)21(16-19)33-15-1-10-28-24(32)18-8-13-29(14-9-18)20-6-11-27-12-7-20/h2-3,6-7,11-12,16,18H,1,4-5,8-10,13-15H2,(H3,25,26)(H,28,32)(H,30,31)