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

Systemtic Name: tert-butyl (2R,3S)-2-(3-oxidanylpropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-3-(benzyloxycarbonylamino)-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate CAS Name: (2R,3S)-2-(3-hydroxypropyl)-3-(phenylmethoxycarbonylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-(3-hydroxypropyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Traditional Name: (2R,3S)-3-(benzyloxycarbonylamino)-2-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1CCCO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-20(2,3)27-19(25)22-12-11-16(17(22)10-7-13-23)21-18(24)26-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,23H,7,10-14H2,1-3H3,(H,21,24)/t16-,17+/m0/s1