(3S,4R,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanyl-6-pentadecyl-piperidine-3-carboxylic acid

Systemtic Name: (3S,4R,6R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanyl-6-pentadecyl-piperidine-3-carboxylic acid Openeye Name: (3S,4R,6R)-1-tert-butoxycarbonyl-4-hydroxy-6-pentadecyl-piperidine-3-carboxylic acid CAS Name: (3S,4R,6R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-6-pentadecyl-3-piperidinecarboxylic acid IUPAC Name: (3S,4R,6R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-6-pentadecylpiperidine-3-carboxylic acid Traditional Name: (3S,4R,6R)-1-tert-butoxycarbonyl-4-hydroxy-6-pentadecyl-nipecotic acid Formula: C26H49NO5 MolecularWeight: 455.67096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-23(28)22(24(29)30)20-27(21)25(31)32-26(2,3)4/h21-23,28H,5-20H2,1-4H3,(H,29,30)/t21-,22+,23-/m1/s1