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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4/c1-16(24(31)32)20-4-3-18(22(25)26)15-21(20)33-14-2-9-28-23(30)17-7-12-29(13-8-17)19-5-10-27-11-6-19/h3-6,10-11,15-17H,2,7-9,12-14H2,1H3,(H3,25,26)(H,28,30)(H,31,32)