tert-butyl (3S,4S)-3,4-bis[(phenylmethyl)-(phenylsulfonyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3,4-bis[(phenylmethyl)-(phenylsulfonyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3,4-bis[benzenesulfonyl(benzyl)amino]pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3,4-bis[benzenesulfonyl-(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3,4-bis[benzenesulfonyl(benzyl)amino]pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3,4-bis[benzyl(besyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C35H39N3O6S2 MolecularWeight: 661.83066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H39N3O6S2/c1-35(2,3)44-34(39)36-26-32(37(24-28-16-8-4-9-17-28)45(40,41)30-20-12-6-13-21-30)33(27-36)38(25-29-18-10-5-11-19-29)46(42,43)31-22-14-7-15-23-31/h4-23,32-33H,24-27H2,1-3H3/t32-,33-/m0/s1