3-[[3-(6-azanylhexanoyl)piperidin-3-yl]methylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(6-azanylhexanoyl)piperidin-3-yl]methylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(6-aminohexanoyl)-3-piperidyl]methylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-(6-amino-1-oxohexyl)-3-piperidinyl]methylamino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(6-aminohexanoyl)piperidin-3-yl]methylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(6-aminohexanoyl)-3-piperidyl]methylamino]-3-(3-pyridyl)propionic acid Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(CNC(CC(=O)O)C2=CN=CC=C2)C(=O)CCCCCN

Isomeric SMILES

C1CC(CNC1)(CNC(CC(=O)O)C2=CN=CC=C2)C(=O)CCCCCN

InChI

InChI=1S/C20H32N4O3/c21-9-3-1-2-7-18(25)20(8-5-11-23-14-20)15-24-17(12-19(26)27)16-6-4-10-22-13-16/h4,6,10,13,17,23-24H,1-3,5,7-9,11-12,14-15,21H2,(H,26,27)