2-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid hydrochloride

Systemtic Name: 2-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid hydrochloride Openeye Name: 2-phenyl-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid hydrochloride CAS Name: 3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-2-phenylpropanoic acid hydrochloride IUPAC Name: 2-phenyl-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid hydrochloride Traditional Name: 2-phenyl-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid hydrochloride Formula: C23H34ClN3O4 MolecularWeight: 451.98676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4.ClH/c27-21(9-8-17-10-12-24-13-11-17)26-14-4-7-19(16-26)22(28)25-15-20(23(29)30)18-5-2-1-3-6-18;/h1-3,5-6,17,19-20,24H,4,7-16H2,(H,25,28)(H,29,30);1H