3-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexanoylamino]propanoic acid

Systemtic Name: 3-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexanoylamino]propanoic acid Openeye Name: 3-[6-[2-(3-pyridyl)pyrrolidin-1-yl]hexanoylamino]propanoic acid CAS Name: 3-[[1-oxo-6-[2-(3-pyridinyl)-1-pyrrolidinyl]hexyl]amino]propanoic acid IUPAC Name: 3-[6-(2-pyridin-3-ylpyrrolidin-1-yl)hexanoylamino]propanoic acid Traditional Name: 3-[6-[2-(3-pyridyl)pyrrolidino]hexanoylamino]propionic acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCCCC(=O)NCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

C1CC(N(C1)CCCCCC(=O)NCCC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C18H27N3O3/c22-17(20-11-9-18(23)24)8-2-1-3-12-21-13-5-7-16(21)15-6-4-10-19-14-15/h4,6,10,14,16H,1-3,5,7-9,11-13H2,(H,20,22)(H,23,24)