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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-(octanoylamino)-3-phenylmethoxy-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-3-benzyloxy-2-(octanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-1-oxo-2-(1-oxooctylamino)-3-phenylmethoxypropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-(octanoylamino)-3-phenylmethoxypropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-benzoxy-2-(caprylylamino)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O5/c1-2-3-4-5-12-19-28(33)31-26(23-36-21-24-14-8-6-9-15-24)29(34)32-20-13-18-27(32)30(35)37-22-25-16-10-7-11-17-25/h6-11,14-17,26-27H,2-5,12-13,18-23H2,1H3,(H,31,33)/t26-,27-/m0/s1