4-(3-carbamimidoylphenoxy)-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C(=N)N)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C(=N)N)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O4/c23-21(24)16-2-1-3-19(12-16)31-14-17(13-20(28)29)26-22(30)15-6-10-27(11-7-15)18-4-8-25-9-5-18/h1-5,8-9,12,15,17H,6-7,10-11,13-14H2,(H3,23,24)(H,26,30)(H,28,29)