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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-(2-methylpropanoylamino)-3-phenylmethoxy-propanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-3-benzyloxy-2-(2-methylpropanoylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[(2-methyl-1-oxopropyl)amino]-1-oxo-3-phenylmethoxypropyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-(2-methylpropanoylamino)-3-phenylmethoxypropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-benzoxy-2-(isobutyrylamino)propanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5/c1-19(2)24(29)27-22(18-32-16-20-10-5-3-6-11-20)25(30)28-15-9-14-23(28)26(31)33-17-21-12-7-4-8-13-21/h3-8,10-13,19,22-23H,9,14-18H2,1-2H3,(H,27,29)/t22-,23-/m0/s1