(phenylmethyl) (2S,3S,4S)-2-methyl-3-oxidanyl-4-[(1S)-1-oxidanyltetradecyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S,4S)-2-methyl-3-oxidanyl-4-[(1S)-1-oxidanyltetradecyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,3S,4S)-3-hydroxy-4-[(1S)-1-hydroxytetradecyl]-2-methyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S,4S)-3-hydroxy-4-[(1S)-1-hydroxytetradecyl]-2-methyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,4S)-3-hydroxy-4-[(1S)-1-hydroxytetradecyl]-2-methylpyrrolidine-1-carboxylate Traditional Name: (2S,3S,4S)-3-hydroxy-4-[(1S)-1-hydroxytetradecyl]-2-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C1CN(C(C1O)C)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]([C@@H]1CN([C@H]([C@H]1O)C)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C27H45NO4/c1-3-4-5-6-7-8-9-10-11-12-16-19-25(29)24-20-28(22(2)26(24)30)27(31)32-21-23-17-14-13-15-18-23/h13-15,17-18,22,24-26,29-30H,3-12,16,19-21H2,1-2H3/t22-,24-,25-,26+/m0/s1