3-(1H-imidazol-5-yl)-3-[pyridin-2-ylmethyl(2-thiophen-2-ylethyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-3-[pyridin-2-ylmethyl(2-thiophen-2-ylethyl)amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-3-[2-pyridylmethyl-[2-(2-thienyl)ethyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-3-[2-pyridinylmethyl(2-thiophen-2-ylethyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-3-[pyridin-2-ylmethyl(2-thiophen-2-ylethyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-3-[2-pyridylmethyl-[2-(2-thienyl)ethyl]amino]propionic acid Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCC2=CC=CS2)C(CC(=O)O)C3=CN=CN3

Isomeric SMILES

C1=CC=NC(=C1)CN(CCC2=CC=CS2)C(CC(=O)O)C3=CN=CN3

InChI

InChI=1S/C18H20N4O2S/c23-18(24)10-17(16-11-19-13-21-16)22(8-6-15-5-3-9-25-15)12-14-4-1-2-7-20-14/h1-5,7,9,11,13,17H,6,8,10,12H2,(H,19,21)(H,23,24)