(phenylmethyl) (2S)-1-[(2R)-2-(octadecanoylamino)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2R)-2-(octadecanoylamino)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2R)-3-hydroxy-2-(octadecanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-3-hydroxy-1-oxo-2-(1-oxooctadecylamino)propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2R)-3-hydroxy-2-(octadecanoylamino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-3-hydroxy-2-stearamido-propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C33H54N2O5 MolecularWeight: 558.79226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C33H54N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-31(37)34-29(26-36)32(38)35-25-20-23-30(35)33(39)40-27-28-21-17-16-18-22-28/h16-18,21-22,29-30,36H,2-15,19-20,23-27H2,1H3,(H,34,37)/t29-,30+/m1/s1