tert-butyl (2S)-1-[(2S)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2S)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2S)-3-(benzyloxycarbonylamino)-2-hydroxy-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-hydroxy-1-oxo-3-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2S)-2-hydroxy-3-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-(benzyloxycarbonylamino)-2-hydroxy-propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CNC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CNC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H28N2O6/c1-20(2,3)28-18(25)15-10-7-11-22(15)17(24)16(23)12-21-19(26)27-13-14-8-5-4-6-9-14/h4-6,8-9,15-16,23H,7,10-13H2,1-3H3,(H,21,26)/t15-,16-/m0/s1