1-(1H-indol-6-ylcarbonyl)-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(1H-indol-6-ylcarbonyl)-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pyrrolidine-2-carboxylic acid Openeye Name: 1-(1H-indole-6-carbonyl)-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid CAS Name: 1-[1H-indol-6-yl(oxo)methyl]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1H-indole-6-carbonyl)-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pyrrolidine-2-carboxylic acid Traditional Name: 1-(1H-indole-6-carbonyl)-4-[[1-(4-pyridyl)isonipecotoyl]amino]proline Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CC(N(C2)C(=O)C3=CC4=C(C=C3)C=CN4)C(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2CC(N(C2)C(=O)C3=CC4=C(C=C3)C=CN4)C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C25H27N5O4/c31-23(17-6-11-29(12-7-17)20-4-8-26-9-5-20)28-19-14-22(25(33)34)30(15-19)24(32)18-2-1-16-3-10-27-21(16)13-18/h1-5,8-10,13,17,19,22,27H,6-7,11-12,14-15H2,(H,28,31)(H,33,34)