ditert-butyl (2S,4R)-1-[(1S)-1-phenyl-2-[(phenylmethyl)amino]ethyl]pyrrolidine-2,4-dicarboxylate

Systemtic Name: ditert-butyl (2S,4R)-1-[(1S)-1-phenyl-2-[(phenylmethyl)amino]ethyl]pyrrolidine-2,4-dicarboxylate Openeye Name: ditert-butyl (2S,4R)-1-[(1S)-2-(benzylamino)-1-phenyl-ethyl]pyrrolidine-2,4-dicarboxylate CAS Name: (2S,4R)-1-[(1S)-1-phenyl-2-[(phenylmethyl)amino]ethyl]pyrrolidine-2,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4R)-1-[(1S)-2-(benzylamino)-1-phenylethyl]pyrrolidine-2,4-dicarboxylate Traditional Name: (2S,4R)-1-[(1S)-2-(benzylamino)-1-phenyl-ethyl]pyrrolidine-2,4-dicarboxylic acid ditert-butyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(N(C1)C(CNCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@H](N(C1)[C@H](CNCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H40N2O4/c1-28(2,3)34-26(32)23-17-24(27(33)35-29(4,5)6)31(20-23)25(22-15-11-8-12-16-22)19-30-18-21-13-9-7-10-14-21/h7-16,23-25,30H,17-20H2,1-6H3/t23-,24+,25-/m1/s1