pentanoyl 4-ethyl-5-(1H-imidazol-5-yl)-5-methyl-2-(propanoylamino)-1-[(3-pyridin-2-ylphenyl)sulfonylamino]piperidine-2-carboxylate

Systemtic Name: pentanoyl 4-ethyl-5-(1H-imidazol-5-yl)-5-methyl-2-(propanoylamino)-1-[(3-pyridin-2-ylphenyl)sulfonylamino]piperidine-2-carboxylate Openeye Name: pentanoyl 4-ethyl-5-(1H-imidazol-5-yl)-5-methyl-2-(propanoylamino)-1-[[3-(2-pyridyl)phenyl]sulfonylamino]piperidine-2-carboxylate CAS Name: 4-ethyl-5-(1H-imidazol-5-yl)-5-methyl-2-(1-oxopropylamino)-1-[[3-(2-pyridinyl)phenyl]sulfonylamino]-2-piperidinecarboxylic acid 1-oxopentyl ester IUPAC Name: pentanoyl 4-ethyl-5-(1H-imidazol-5-yl)-5-methyl-2-(propanoylamino)-1-[(3-pyridin-2-ylphenyl)sulfonylamino]piperidine-2-carboxylate Traditional Name: 4-ethyl-5-(1H-imidazol-5-yl)-5-methyl-2-propionamido-1-[[3-(2-pyridyl)phenyl]sulfonylamino]pipecolinic acid valeryl ester Formula: C31H40N6O6S MolecularWeight: 624.7509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(=O)C1(CC(C(CN1NS(=O)(=O)C2=CC=CC(=C2)C3=CC=CC=N3)(C)C4=CN=CN4)CC)NC(=O)CC

Isomeric SMILES

CCCCC(=O)OC(=O)C1(CC(C(CN1NS(=O)(=O)C2=CC=CC(=C2)C3=CC=CC=N3)(C)C4=CN=CN4)CC)NC(=O)CC

InChI

InChI=1S/C31H40N6O6S/c1-5-8-15-28(39)43-29(40)31(35-27(38)7-3)18-23(6-2)30(4,26-19-32-21-34-26)20-37(31)36-44(41,42)24-13-11-12-22(17-24)25-14-9-10-16-33-25/h9-14,16-17,19,21,23,36H,5-8,15,18,20H2,1-4H3,(H,32,34)(H,35,38)