3-[5-(1-benzofuran-2-yl)pyridin-3-yl]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[5-(1-benzofuran-2-yl)pyridin-3-yl]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[5-(benzofuran-2-yl)-3-pyridyl]-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[5-(2-benzofuranyl)-3-pyridinyl]-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[5-(1-benzofuran-2-yl)pyridin-3-yl]-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[5-(benzofuran-2-yl)-3-pyridyl]-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C30H36N4O5 MolecularWeight: 532.63064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CN=CC(=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CN=CC(=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C30H36N4O5/c35-28(8-7-20-9-11-31-12-10-20)34-13-3-5-22(19-34)30(38)33-25(16-29(36)37)23-14-24(18-32-17-23)27-15-21-4-1-2-6-26(21)39-27/h1-2,4,6,14-15,17-18,20,22,25,31H,3,5,7-13,16,19H2,(H,33,38)(H,36,37)