tert-butyl (2S)-1-[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-15(2)18(23-21(27)28-14-16-10-7-6-8-11-16)19(25)24-13-9-12-17(24)20(26)29-22(3,4)5/h6-8,10-11,15,17-18H,9,12-14H2,1-5H3,(H,23,27)/t17-,18+/m0/s1