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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-(hexadecanoylamino)-3-phenylmethoxy-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-3-benzyloxy-2-(hexadecanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-1-oxo-2-(1-oxohexadecylamino)-3-phenylmethoxypropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-(hexadecanoylamino)-3-phenylmethoxypropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-benzoxy-2-palmitamido-propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C38H56N2O5 MolecularWeight: 620.86164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-36(41)39-34(31-44-29-32-22-16-14-17-23-32)37(42)40-28-21-26-35(40)38(43)45-30-33-24-18-15-19-25-33/h14-19,22-25,34-35H,2-13,20-21,26-31H2,1H3,(H,39,41)/t34-,35-/m0/s1