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

Systemtic Name: 2-piperidin-1-yl-3-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]propanoic acid Openeye Name: 2-(1-piperidyl)-3-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]-2-(1-piperidinyl)propanoic acid IUPAC Name: 2-piperidin-1-yl-3-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]propanoic acid Traditional Name: 2-piperidino-3-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]propionic acid Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)N2CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C18H27N5O3/c24-17(25)16(22-8-2-1-3-9-22)14-20-18(26)23-12-10-21(11-13-23)15-4-6-19-7-5-15/h4-7,16H,1-3,8-14H2,(H,20,26)(H,24,25)