tert-butyl (2R,4R,5S)-5-acetamido-4-acetyloxy-2-pentadecyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,4R,5S)-5-acetamido-4-acetyloxy-2-pentadecyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2R,4R,5S)-5-acetamido-4-acetoxy-2-pentadecyl-piperidine-1-carboxylate CAS Name: (2R,4R,5S)-5-acetamido-4-acetyloxy-2-pentadecyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4R,5S)-5-acetamido-4-acetyloxy-2-pentadecylpiperidine-1-carboxylate Traditional Name: (2R,4R,5S)-5-acetamido-4-acetoxy-2-pentadecyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C29H54N2O5 MolecularWeight: 510.74946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CC(C(CN1C(=O)OC(C)(C)C)NC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC[C@@H]1C[C@H]([C@H](CN1C(=O)OC(C)(C)C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C29H54N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-27(35-24(3)33)26(30-23(2)32)22-31(25)28(34)36-29(4,5)6/h25-27H,7-22H2,1-6H3,(H,30,32)/t25-,26+,27-/m1/s1