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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-(octadecanoylamino)-3-phenylmethoxy-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-3-benzyloxy-2-(octadecanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-1-oxo-2-(1-oxooctadecylamino)-3-phenylmethoxypropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-(octadecanoylamino)-3-phenylmethoxypropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-benzoxy-2-stearamido-propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C40H60N2O5 MolecularWeight: 648.9148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C40H60N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-29-38(43)41-36(33-46-31-34-24-18-16-19-25-34)39(44)42-30-23-28-37(42)40(45)47-32-35-26-20-17-21-27-35/h16-21,24-27,36-37H,2-15,22-23,28-33H2,1H3,(H,41,43)/t36-,37-/m0/s1