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

Systemtic Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 2-nicotinamido-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C23H33N5O5 MolecularWeight: 459.53862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NCC(C(=O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NCC(C(=O)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H33N5O5/c29-20(6-5-16-7-10-24-11-8-16)28-12-2-4-18(15-28)21(30)26-14-19(23(32)33)27-22(31)17-3-1-9-25-13-17/h1,3,9,13,16,18-19,24H,2,4-8,10-12,14-15H2,(H,26,30)(H,27,31)(H,32,33)