2-(piperidin-3-ylmethyl)-3-[(4-piperidin-4-ylpiperidin-1-yl)carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-(piperidin-3-ylmethyl)-3-[(4-piperidin-4-ylpiperidin-1-yl)carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-(3-piperidylmethyl)-3-[[4-(4-piperidyl)piperidine-1-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]amino]-2-(3-piperidinylmethyl)-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-(piperidin-3-ylmethyl)-3-[(4-piperidin-4-ylpiperidine-1-carbonyl)amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-(3-piperidylmethyl)-3-[[4-(4-piperidyl)piperidine-1-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H39N5O3 MolecularWeight: 457.60886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CC(C(C2=CN=CC=C2)NC(=O)N3CCC(CC3)C4CCNCC4)C(=O)O

Isomeric SMILES

C1CC(CNC1)CC(C(C2=CN=CC=C2)NC(=O)N3CCC(CC3)C4CCNCC4)C(=O)O

InChI

InChI=1S/C25H39N5O3/c31-24(32)22(15-18-3-1-9-27-16-18)23(21-4-2-10-28-17-21)29-25(33)30-13-7-20(8-14-30)19-5-11-26-12-6-19/h2,4,10,17-20,22-23,26-27H,1,3,5-9,11-16H2,(H,29,33)(H,31,32)