tert-butyl (2R,3S)-2-(3-methylsulfonyloxypropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-2-(3-methylsulfonyloxypropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-3-(benzyloxycarbonylamino)-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylate CAS Name: (2R,3S)-2-(3-methylsulfonyloxypropyl)-3-(phenylmethoxycarbonylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-(3-methylsulfonyloxypropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Traditional Name: (2R,3S)-3-(benzyloxycarbonylamino)-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1CCCOS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1CCCOS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O7S/c1-21(2,3)30-20(25)23-13-12-17(18(23)11-8-14-29-31(4,26)27)22-19(24)28-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,22,24)/t17-,18+/m0/s1